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

C17H27NO2 — CID 43317684

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(C(C)NC2CCCC(C)C2)cc1OC
InChIInChI=1S/C17H27NO2/c1-12-6-5-7-15(10-12)18-13(2)14-8-9-16(19-3)17(11-14)20-4/h8-9,11-13,15,18H,5-7,10H2,1-4H3
InChIKeyUNHKPXARIUHMMM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds5

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

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 43317684) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
PubChem CID43317684
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
SMILESCOc1ccc(C(C)NC2CCCC(C)C2)cc1OC
InChIInChI=1S/C17H27NO2/c1-12-6-5-7-15(10-12)18-13(2)14-8-9-16(19-3)17(11-14)20-4/h8-9,11-13,15,18H,5-7,10H2,1-4H3
InChIKeyUNHKPXARIUHMMM-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459154
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65079966
N-[1-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79145243
N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43775452
N-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43194983
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892503
N-[1-(3-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43244142
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751793
3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine
CID 115892491
4-[1-(3,4-dimethoxyphenyl)ethylamino]azepan-2-one
CID 63905225

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine (CID 43317684) is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine is COc1ccc(C(C)NC2CCCC(C)C2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is UNHKPXARIUHMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-6-5-7-15(10-12)18-13(2)14-8-9-16(19-3)17(11-14)20-4/h8-9,11-13,15,18H,5-7,10H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine?
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43317684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).