[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol

C18H29NO2 — CID 62526048

IUPAC[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol
SMILESCCCOc1ccc(CNC2(CO)CCC(C)CC2)cc1
InChIInChI=1S/C18H29NO2/c1-3-12-21-17-6-4-16(5-7-17)13-19-18(14-20)10-8-15(2)9-11-18/h4-7,15,19-20H,3,8-14H2,1-2H3
InChIKeyLUNNVLDPSYDKFS-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.51
Rot. Bonds7

About [4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol

[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol (PubChem CID 62526048) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol
PubChem CID62526048
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol
SMILESCCCOc1ccc(CNC2(CO)CCC(C)CC2)cc1
InChIInChI=1S/C18H29NO2/c1-3-12-21-17-6-4-16(5-7-17)13-19-18(14-20)10-8-15(2)9-11-18/h4-7,15,19-20H,3,8-14H2,1-2H3
InChIKeyLUNNVLDPSYDKFS-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol
CID 62520257
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[1-(3-amino-5-propoxyanilino)-4-methylcyclohexyl]methanol
CID 80739430
[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553320
2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol
CID 107740759
1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 65029969
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
[1-[2-(4-bromophenoxy)ethylamino]-3-methylcyclohexyl]methanol
CID 62552357
2-[(4-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312708

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol (CID 62526048) is [4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol is CCCOc1ccc(CNC2(CO)CCC(C)CC2)cc1.
What is the InChIKey of [4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol?
The InChIKey is LUNNVLDPSYDKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-12-21-17-6-4-16(5-7-17)13-19-18(14-20)10-8-15(2)9-11-18/h4-7,15,19-20H,3,8-14H2,1-2H3.
What are the key properties of [4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol?
[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62526048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).