N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine

C17H27NO — CID 43080624

IUPACN-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
SMILESCCC(NC1CCCCC1C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO/c1-4-16(14-9-11-15(19-3)12-10-14)18-17-8-6-5-7-13(17)2/h9-13,16-18H,4-8H2,1-3H3
InChIKeyVVGWTMAVQNTIGP-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.31
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine

N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine (PubChem CID 43080624) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
PubChem CID43080624
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
SMILESCCC(NC1CCCCC1C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO/c1-4-16(14-9-11-15(19-3)12-10-14)18-17-8-6-5-7-13(17)2/h9-13,16-18H,4-8H2,1-3H3
InChIKeyVVGWTMAVQNTIGP-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 43079704
N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786632
N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine
CID 115707061
N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine
CID 114285157
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171468
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 81389074
N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine
CID 43103111
3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine
CID 103904067
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
N-[1-(4-methoxyphenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79352429
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine (CID 43080624) is N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine is CCC(NC1CCCCC1C)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine?
The InChIKey is VVGWTMAVQNTIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-16(14-9-11-15(19-3)12-10-14)18-17-8-6-5-7-13(17)2/h9-13,16-18H,4-8H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine?
N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43080624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).