N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine

C17H27NO — CID 43082252

IUPACN-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCOc1ccc(CCNC2C(C)CCCC2C)cc1
InChIInChI=1S/C17H27NO/c1-13-5-4-6-14(2)17(13)18-12-11-15-7-9-16(19-3)10-8-15/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3
InChIKeyHUBDJWDBPZVUHH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine

N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 43082252) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID43082252
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCOc1ccc(CCNC2C(C)CCCC2C)cc1
InChIInChI=1S/C17H27NO/c1-13-5-4-6-14(2)17(13)18-12-11-15-7-9-16(19-3)10-8-15/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3
InChIKeyHUBDJWDBPZVUHH-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine
CID 118993498
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 791634
N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine
CID 783887
N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472958
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103775345
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
CID 3824332
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 65046529

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine (CID 43082252) is N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine is COc1ccc(CCNC2C(C)CCCC2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is HUBDJWDBPZVUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-5-4-6-14(2)17(13)18-12-11-15-7-9-16(19-3)10-8-15/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43082252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).