N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine

C18H27NO — CID 43766332

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCCC1=CCCCC1)c1ccccc1OC
InChIInChI=1S/C18H27NO/c1-3-17(16-11-7-8-12-18(16)20-2)19-14-13-15-9-5-4-6-10-15/h7-9,11-12,17,19H,3-6,10,13-14H2,1-2H3
InChIKeyZVALPYUANYQLFQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.63
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine (PubChem CID 43766332) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
PubChem CID43766332
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCCC1=CCCCC1)c1ccccc1OC
InChIInChI=1S/C18H27NO/c1-3-17(16-11-7-8-12-18(16)20-2)19-14-13-15-9-5-4-6-10-15/h7-9,11-12,17,19H,3-6,10,13-14H2,1-2H3
InChIKeyZVALPYUANYQLFQ-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.63
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

N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 106169208
N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 116662158
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173418
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
CID 47006554
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
CID 43766361
N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173203
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine (CID 43766332) is N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine is CCC(NCCC1=CCCCC1)c1ccccc1OC.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
The InChIKey is ZVALPYUANYQLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-17(16-11-7-8-12-18(16)20-2)19-14-13-15-9-5-4-6-10-15/h7-9,11-12,17,19H,3-6,10,13-14H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.63, 7 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-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43766332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).