1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol

C23H34N2O2 — CID 42794844

IUPAC1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(Cc1cccn1Cc1ccccc1C)C1CCCCC1
InChIInChI=1S/C23H34N2O2/c1-19-9-6-7-10-20(19)15-24-14-8-13-22(24)16-25(17-23(26)18-27-2)21-11-4-3-5-12-21/h6-10,13-14,21,23,26H,3-5,11-12,15-18H2,1-2H3
InChIKeyMOSFGANYXDWDSU-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.99
Rot. Bonds9

About 1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol

1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol (PubChem CID 42794844) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol
PubChem CID42794844
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(Cc1cccn1Cc1ccccc1C)C1CCCCC1
InChIInChI=1S/C23H34N2O2/c1-19-9-6-7-10-20(19)15-24-14-8-13-22(24)16-25(17-23(26)18-27-2)21-11-4-3-5-12-21/h6-10,13-14,21,23,26H,3-5,11-12,15-18H2,1-2H3
InChIKeyMOSFGANYXDWDSU-UHFFFAOYSA-N
XLogP3.99
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 42794853
1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 42794852
1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol
CID 42794850
(2R)-1-[cyclopropyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93116154
(2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol
CID 7249183
2-[[cyclohexyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]phenol
CID 7872383
1-[cyclopropyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
CID 42794758
1-[cyclohexylmethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 42794874
1-[2-methoxyethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol
CID 42794861
N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 42795125
2-chloro-N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 5112209
(2R)-1-[3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7207225

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol (CID 42794844) is 1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol is COCC(O)CN(Cc1cccn1Cc1ccccc1C)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol?
The InChIKey is MOSFGANYXDWDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-19-9-6-7-10-20(19)15-24-14-8-13-22(24)16-25(17-23(26)18-27-2)21-11-4-3-5-12-21/h6-10,13-14,21,23,26H,3-5,11-12,15-18H2,1-2H3.
What are the key properties of 1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol?
1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol has a molecular weight of 370.54 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 42794844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).