N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine

C16H22ClN — CID 103275983

IUPACN-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
SMILESCC1=CC(C)CC(CNCc2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN/c1-12-7-13(2)9-14(8-12)10-18-11-15-5-3-4-6-16(15)17/h3-7,12,14,18H,8-11H2,1-2H3
InChIKeyKEOLPSCGVDEBEF-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.42
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine

N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine (PubChem CID 103275983) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
PubChem CID103275983
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
SMILESCC1=CC(C)CC(CNCc2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN/c1-12-7-13(2)9-14(8-12)10-18-11-15-5-3-4-6-16(15)17/h3-7,12,14,18H,8-11H2,1-2H3
InChIKeyKEOLPSCGVDEBEF-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.42
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-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103276092
3-chloro-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methylaniline
CID 103275965
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 103276706
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine
CID 103276658
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine
CID 106122381
2-(5-chlorothiophen-2-yl)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 114139953
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
CID 103276172
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine
CID 103276011
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
2-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]prop-2-en-1-amine
CID 103277074
4-bromo-2,6-dichloro-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]aniline
CID 103276167

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine (CID 103275983) is N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine is CC1=CC(C)CC(CNCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine?
The InChIKey is KEOLPSCGVDEBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c1-12-7-13(2)9-14(8-12)10-18-11-15-5-3-4-6-16(15)17/h3-7,12,14,18H,8-11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine has a molecular weight of 263.81 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine is sourced from PubChem (CID 103275983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).