1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol

C19H31NO2 — CID 78896602

IUPAC1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H31NO2/c1-15(2)22-14-19(21)13-20(3)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,15,17-19,21H,9-14H2,1-3H3
InChIKeyRGMSPUAPSIDQNV-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.43
Rot. Bonds7

About 1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol

1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 78896602) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID78896602
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H31NO2/c1-15(2)22-14-19(21)13-20(3)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,15,17-19,21H,9-14H2,1-3H3
InChIKeyRGMSPUAPSIDQNV-UHFFFAOYSA-N
XLogP3.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111488970
1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60704158
(2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol
CID 97018679
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
CID 53355364
1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol
CID 78832763
1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol
CID 111858533
1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713906
1-(4-phenylcyclohexyl)propan-1-ol
CID 79298155
1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
CID 111106340
1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78845798
1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 24714107

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol (CID 78896602) is 1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(C)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is RGMSPUAPSIDQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-15(2)22-14-19(21)13-20(3)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,15,17-19,21H,9-14H2,1-3H3.
What are the key properties of 1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 305.46 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 78896602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).