N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine

C17H27NO — CID 81370541

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCOc1ccc([C@@H](C)NC2CCC(C)CC2C)cc1
InChIInChI=1S/C17H27NO/c1-12-5-10-17(13(2)11-12)18-14(3)15-6-8-16(19-4)9-7-15/h6-9,12-14,17-18H,5,10-11H2,1-4H3/t12?,13?,14-,17?/m1/s1
InChIKeyJUTHTJBMSAUOLL-OPFKTAGGSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds4

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 81370541) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID81370541
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCOc1ccc([C@@H](C)NC2CCC(C)CC2C)cc1
InChIInChI=1S/C17H27NO/c1-12-5-10-17(13(2)11-12)18-14(3)15-6-8-16(19-4)9-7-15/h6-9,12-14,17-18H,5,10-11H2,1-4H3/t12?,13?,14-,17?/m1/s1
InChIKeyJUTHTJBMSAUOLL-OPFKTAGGSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81375875
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
4-[1-[(2,4-dimethylcyclohexyl)amino]ethyl]benzonitrile
CID 63994071
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 62086759
cis-(1S,2R)-1-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclopentane-1,2-diamine
CID 124745453
2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
CID 64762616
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 81371394
N-[1-(4-methoxyphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195066
N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63994085
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine (CID 81370541) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine is COc1ccc([C@@H](C)NC2CCC(C)CC2C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is JUTHTJBMSAUOLL-OPFKTAGGSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-5-10-17(13(2)11-12)18-14(3)15-6-8-16(19-4)9-7-15/h6-9,12-14,17-18H,5,10-11H2,1-4H3/t12?,13?,14-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81370541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).