N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine

C17H27NO2 — CID 2846430

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(CCNC2CCCC(C)C2)cc1OC
InChIInChI=1S/C17H27NO2/c1-13-5-4-6-15(11-13)18-10-9-14-7-8-16(19-2)17(12-14)20-3/h7-8,12-13,15,18H,4-6,9-11H2,1-3H3
InChIKeyDWGYSHSLCSXWCB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.41
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 2846430) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
PubChem CID2846430
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(CCNC2CCCC(C)C2)cc1OC
InChIInChI=1S/C17H27NO2/c1-13-5-4-6-15(11-13)18-10-9-14-7-8-16(19-2)17(12-14)20-3/h7-8,12-13,15,18H,4-6,9-11H2,1-3H3
InChIKeyDWGYSHSLCSXWCB-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 30979844
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 65046529
N-[2-(3,4-dimethoxyphenyl)ethyl]oxepan-4-amine
CID 65076929
N-[2-(3,4-dimethoxyphenyl)ethyl]thian-3-amine
CID 62871405
N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 166264057
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 54848890
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine
CID 43317436
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclohexan-1-amine
CID 43178290
(3R,5S)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97320294
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 117068425

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine (CID 2846430) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine is COc1ccc(CCNC2CCCC(C)C2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is DWGYSHSLCSXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-5-4-6-15(11-13)18-10-9-14-7-8-16(19-2)17(12-14)20-3/h7-8,12-13,15,18H,4-6,9-11H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 2846430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).