N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine

C18H27NO — CID 103276877

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCC2CC(C)=CC(C)C2)cc1
InChIInChI=1S/C18H27NO/c1-13-9-14(2)11-16(10-13)12-19-15(3)17-5-7-18(20-4)8-6-17/h5-9,13,15-16,19H,10-12H2,1-4H3
InChIKeyZXEBQLFZQDADMV-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.34
Rot. Bonds5

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 103276877) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID103276877
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCC2CC(C)=CC(C)C2)cc1
InChIInChI=1S/C18H27NO/c1-13-9-14(2)11-16(10-13)12-19-15(3)17-5-7-18(20-4)8-6-17/h5-9,13,15-16,19H,10-12H2,1-4H3
InChIKeyZXEBQLFZQDADMV-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.34
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-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 103276440
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-4-ylethanamine
CID 103276065
(1S)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-4-ylethanamine
CID 103276963
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103276062
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
1-(2,4-difluorophenyl)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 103276257
(1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine
CID 103276961
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol
CID 103276887
N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 113348515
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371542

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 103276877) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCC2CC(C)=CC(C)C2)cc1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is ZXEBQLFZQDADMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-9-14(2)11-16(10-13)12-19-15(3)17-5-7-18(20-4)8-6-17/h5-9,13,15-16,19H,10-12H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 103276877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).