1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol

C24H41N3O3 — CID 45173198

IUPAC1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(CNCC2(N(C)C)CCCCC2)cc1OCC(O)CN1CCCC1
InChIInChI=1S/C24H41N3O3/c1-26(2)24(11-5-4-6-12-24)19-25-16-20-9-10-22(29-3)23(15-20)30-18-21(28)17-27-13-7-8-14-27/h9-10,15,21,25,28H,4-8,11-14,16-19H2,1-3H3
InChIKeyZNLFPZJXWUYCOA-UHFFFAOYSA-N
MW419.61 g/mol
LogP2.88
Rot. Bonds11

About 1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol

1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 45173198) has the molecular formula C24H41N3O3 and a molecular weight of 419.61 g/mol. Its IUPAC name is 1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID45173198
Molecular FormulaC24H41N3O3
Molecular Weight419.61 g/mol
Exact Mass419.31
IUPAC Name1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(CNCC2(N(C)C)CCCCC2)cc1OCC(O)CN1CCCC1
InChIInChI=1S/C24H41N3O3/c1-26(2)24(11-5-4-6-12-24)19-25-16-20-9-10-22(29-3)23(15-20)30-18-21(28)17-27-13-7-8-14-27/h9-10,15,21,25,28H,4-8,11-14,16-19H2,1-3H3
InChIKeyZNLFPZJXWUYCOA-UHFFFAOYSA-N
XLogP2.88
TPSA57.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol with MolForge

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Related Compounds

1-[5-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 74229800
1-(azocan-1-yl)-3-[2-methoxy-5-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 45242332
(2R)-1-[2-methoxy-5-[(2-methylsulfanylethylamino)methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 25309015
1-[2-methoxy-5-[[(3-methylphenyl)methylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45192086
1-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45248809
4-[2-[[3-[3-(azocan-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]ethyl]phenol
CID 45226282
1-[2-methoxy-5-[[2-(4-methylphenyl)ethylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45181161
1-(azocan-1-yl)-3-[5-[[(3-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45223808
1-[2-methoxy-5-[(2-phenylethylamino)methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45216188
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
(2R)-1-[5-[[(2,5-difluorophenyl)methylamino]methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 42244130
1-[2-methoxy-5-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45243995

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol (CID 45173198) is 1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol is COc1ccc(CNCC2(N(C)C)CCCCC2)cc1OCC(O)CN1CCCC1.
What is the InChIKey of 1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is ZNLFPZJXWUYCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O3/c1-26(2)24(11-5-4-6-12-24)19-25-16-20-9-10-22(29-3)23(15-20)30-18-21(28)17-27-13-7-8-14-27/h9-10,15,21,25,28H,4-8,11-14,16-19H2,1-3H3.
What are the key properties of 1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 419.61 g/mol, XLogP of 2.88, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 45173198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).