N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine

C17H25NO — CID 43110628

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCCC2=CCCCC2)c1
InChIInChI=1S/C17H25NO/c1-14(16-9-6-10-17(13-16)19-2)18-12-11-15-7-4-3-5-8-15/h6-7,9-10,13-14,18H,3-5,8,11-12H2,1-2H3
InChIKeyLHQOZYDFRDLNEN-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.24
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine

N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 43110628) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID43110628
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCCC2=CCCCC2)c1
InChIInChI=1S/C17H25NO/c1-14(16-9-6-10-17(13-16)19-2)18-12-11-15-7-4-3-5-8-15/h6-7,9-10,13-14,18H,3-5,8,11-12H2,1-2H3
InChIKeyLHQOZYDFRDLNEN-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 84746345
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-nitrophenyl)ethanamine
CID 43078363
1-(3-bromo-4-methoxyphenyl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 106170053
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
N-[2-(cyclopenten-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 106169038
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112856555
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 5147026
[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 17474059
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine (CID 43110628) is N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is LHQOZYDFRDLNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(16-9-6-10-17(13-16)19-2)18-12-11-15-7-4-3-5-8-15/h6-7,9-10,13-14,18H,3-5,8,11-12H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine?
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 43110628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).