2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol

C17H27NO2 — CID 64928817

IUPAC2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(CC(C)NCC2CCCCC2O)cc1
InChIInChI=1S/C17H27NO2/c1-13(11-14-7-9-16(20-2)10-8-14)18-12-15-5-3-4-6-17(15)19/h7-10,13,15,17-19H,3-6,11-12H2,1-2H3
InChIKeyQJXWXKDGLJCIRY-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.77
Rot. Bonds6

About 2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol

2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol (PubChem CID 64928817) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
PubChem CID64928817
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(CC(C)NCC2CCCCC2O)cc1
InChIInChI=1S/C17H27NO2/c1-13(11-14-7-9-16(20-2)10-8-14)18-12-15-5-3-4-6-17(15)19/h7-10,13,15,17-19H,3-6,11-12H2,1-2H3
InChIKeyQJXWXKDGLJCIRY-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2-hydroxycyclopentyl)methylamino]propyl]phenol
CID 113322903
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
1-(4-methoxyphenyl)-N-(thian-2-ylmethyl)propan-2-amine
CID 80595743
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 64927300
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
CID 64928670
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 81027041
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
2-[(pentan-2-ylamino)methyl]cyclohexan-1-ol
CID 64927417

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol (CID 64928817) is 2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol is COc1ccc(CC(C)NCC2CCCCC2O)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
The InChIKey is QJXWXKDGLJCIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(11-14-7-9-16(20-2)10-8-14)18-12-15-5-3-4-6-17(15)19/h7-10,13,15,17-19H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64928817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).