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

C17H27NO — CID 62702803

IUPACN-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)15-6-8-16(9-7-15)18-12-14-4-10-17(19-3)11-5-14/h4-5,10-11,13,15-16,18H,6-9,12H2,1-3H3
InChIKeyQVWKEZQMNHUAFC-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.00
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62702803) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID62702803
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCOc1ccc(CNC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)15-6-8-16(9-7-15)18-12-14-4-10-17(19-3)11-5-14/h4-5,10-11,13,15-16,18H,6-9,12H2,1-3H3
InChIKeyQVWKEZQMNHUAFC-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

Analyze N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
(2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine
CID 125432814
4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
CID 114331412
N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65072733
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65087684

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 62702803) is N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is COc1ccc(CNC2CCC(C(C)C)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is QVWKEZQMNHUAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)15-6-8-16(9-7-15)18-12-14-4-10-17(19-3)11-5-14/h4-5,10-11,13,15-16,18H,6-9,12H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
N-[(4-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-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62702803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).