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

C19H29NO — CID 103276440

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(C)NCC2CC(C)=CC(C)C2)cc1
InChIInChI=1S/C19H29NO/c1-5-21-19-8-6-18(7-9-19)16(4)20-13-17-11-14(2)10-15(3)12-17/h6-10,14,16-17,20H,5,11-13H2,1-4H3
InChIKeyUJWGWBYYFUIQDE-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.73
Rot. Bonds6

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

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine (PubChem CID 103276440) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
PubChem CID103276440
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(C)NCC2CC(C)=CC(C)C2)cc1
InChIInChI=1S/C19H29NO/c1-5-21-19-8-6-18(7-9-19)16(4)20-13-17-11-14(2)10-15(3)12-17/h6-10,14,16-17,20H,5,11-13H2,1-4H3
InChIKeyUJWGWBYYFUIQDE-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.73
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-methoxyphenyl)ethanamine
CID 103276877
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
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103276554
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-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-ethoxypyridin-3-amine
CID 103276908
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 103277087
4-(difluoromethoxy)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]aniline
CID 103276060

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine (CID 103276440) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine is CCOc1ccc(C(C)NCC2CC(C)=CC(C)C2)cc1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine?
The InChIKey is UJWGWBYYFUIQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-21-19-8-6-18(7-9-19)16(4)20-13-17-11-14(2)10-15(3)12-17/h6-10,14,16-17,20H,5,11-13H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(4-ethoxyphenyl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.73, 6 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-ethoxyphenyl)ethanamine is sourced from PubChem (CID 103276440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).