1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine

C16H23NO — CID 60776459

IUPAC1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine
SMILESCCOc1cccc(CNCC2CC=CCC2)c1
InChIInChI=1S/C16H23NO/c1-2-18-16-10-6-9-15(11-16)13-17-12-14-7-4-3-5-8-14/h3-4,6,9-11,14,17H,2,5,7-8,12-13H2,1H3
InChIKeyMUTSYAJMQQNMRV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.53
Rot. Bonds6

About 1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine (PubChem CID 60776459) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine
PubChem CID60776459
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine
SMILESCCOc1cccc(CNCC2CC=CCC2)c1
InChIInChI=1S/C16H23NO/c1-2-18-16-10-6-9-15(11-16)13-17-12-14-7-4-3-5-8-14/h3-4,6,9-11,14,17H,2,5,7-8,12-13H2,1H3
InChIKeyMUTSYAJMQQNMRV-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.53
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-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine
CID 115625903
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 59230604
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine
CID 55021286
1-cyclohex-3-en-1-yl-N-(isoquinolin-6-ylmethyl)methanamine
CID 107038257
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
2-[3-[(cyclopropylmethylamino)methyl]phenoxy]acetonitrile
CID 43756743
5-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 65340764
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
N-[(3-ethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527853

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine (CID 60776459) is 1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine is CCOc1cccc(CNCC2CC=CCC2)c1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine?
The InChIKey is MUTSYAJMQQNMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-18-16-10-6-9-15(11-16)13-17-12-14-7-4-3-5-8-14/h3-4,6,9-11,14,17H,2,5,7-8,12-13H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 60776459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).