N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

C17H27NO — CID 62707677

IUPACN-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCOc1cccc(CNC2CCC(C(C)C)CC2)c1
InChIInChI=1S/C17H27NO/c1-13(2)15-7-9-16(10-8-15)18-12-14-5-4-6-17(11-14)19-3/h4-6,11,13,15-16,18H,7-10,12H2,1-3H3
InChIKeyACPNMWVFFILOSY-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.00
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62707677) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID62707677
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCOc1cccc(CNC2CCC(C(C)C)CC2)c1
InChIInChI=1S/C17H27NO/c1-13(2)15-7-9-16(10-8-15)18-12-14-5-4-6-17(11-14)19-3/h4-6,11,13,15-16,18H,7-10,12H2,1-3H3
InChIKeyACPNMWVFFILOSY-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 62707677) is N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is COc1cccc(CNC2CCC(C(C)C)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is ACPNMWVFFILOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)15-7-9-16(10-8-15)18-12-14-5-4-6-17(11-14)19-3/h4-6,11,13,15-16,18H,7-10,12H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62707677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).