N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine

C16H23N — CID 55034558

IUPACN-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1ccccc1C
InChIInChI=1S/C16H23N/c1-3-17-16(14-10-5-4-6-11-14)15-12-8-7-9-13(15)2/h7-10,12,16-17H,3-6,11H2,1-2H3
InChIKeyOPQWVQGCRMVFFE-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.15
Rot. Bonds4

About N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine

N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine (PubChem CID 55034558) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
PubChem CID55034558
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1ccccc1C
InChIInChI=1S/C16H23N/c1-3-17-16(14-10-5-4-6-11-14)15-12-8-7-9-13(15)2/h7-10,12,16-17H,3-6,11H2,1-2H3
InChIKeyOPQWVQGCRMVFFE-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclohepten-1-yl-(2-methylsulfanylphenyl)methyl]ethanamine
CID 103718540
N-[cyclohexen-1-yl-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 106657373
N-[(5-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656484
N-[(5-chloro-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656210
N-[cyclopenten-1-yl-(2-iodophenyl)methyl]ethanamine
CID 62078356
N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477478
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529
N-[1-benzofuran-3-yl-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106654255
N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 106652706
N-[(2-bromo-3-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656684
N-[(2-bromo-3-methylphenyl)-(cyclohexen-1-yl)methyl]propan-1-amine
CID 107982008
N-[cyclohexen-1-yl-(3-methylfuran-2-yl)methyl]ethanamine
CID 62078327

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine (CID 55034558) is N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine is CCNC(C1=CCCCC1)c1ccccc1C.
What is the InChIKey of N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine?
The InChIKey is OPQWVQGCRMVFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-17-16(14-10-5-4-6-11-14)15-12-8-7-9-13(15)2/h7-10,12,16-17H,3-6,11H2,1-2H3.
What are the key properties of N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine?
N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine has a molecular weight of 229.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 55034558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).