2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine

C19H31NO — CID 43079642

IUPAC2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCOc1ccccc1C(C)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C19H31NO/c1-14(15-10-6-9-13-18(15)21-5)20-17-12-8-7-11-16(17)19(2,3)4/h6,9-10,13-14,16-17,20H,7-8,11-12H2,1-5H3
InChIKeyXCGMNAFOFIQZFL-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.95
Rot. Bonds4

About 2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine (PubChem CID 43079642) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
PubChem CID43079642
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCOc1ccccc1C(C)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C19H31NO/c1-14(15-10-6-9-13-18(15)21-5)20-17-12-8-7-11-16(17)19(2,3)4/h6,9-10,13-14,16-17,20H,7-8,11-12H2,1-5H3
InChIKeyXCGMNAFOFIQZFL-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81389693
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 81397569
2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81396821
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
N-[1-(2-methoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63278312
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81386978
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 81397921
2-ethyl-N-[1-(2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 103783784
2-tert-butyl-N-[1-(2,6-difluorophenyl)ethyl]cyclohexan-1-amine
CID 43673897
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol
CID 43673859
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine (CID 43079642) is 2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine is COc1ccccc1C(C)NC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is XCGMNAFOFIQZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(15-10-6-9-13-18(15)21-5)20-17-12-8-7-11-16(17)19(2,3)4/h6,9-10,13-14,16-17,20H,7-8,11-12H2,1-5H3.
What are the key properties of 2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43079642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).