1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine

C16H24ClN — CID 66046965

IUPAC1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine
SMILESC=C(CC)CC(Cc1cccc(Cl)c1)NCCC
InChIInChI=1S/C16H24ClN/c1-4-9-18-16(10-13(3)5-2)12-14-7-6-8-15(17)11-14/h6-8,11,16,18H,3-5,9-10,12H2,1-2H3
InChIKeyZKQOOASDPWTODY-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.61
Rot. Bonds8

About 1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine

1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine (PubChem CID 66046965) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine
PubChem CID66046965
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine
SMILESC=C(CC)CC(Cc1cccc(Cl)c1)NCCC
InChIInChI=1S/C16H24ClN/c1-4-9-18-16(10-13(3)5-2)12-14-7-6-8-15(17)11-14/h6-8,11,16,18H,3-5,9-10,12H2,1-2H3
InChIKeyZKQOOASDPWTODY-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66047440
1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
CID 66038028
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546384
1-(3,5-difluorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66039224
1-(3-chlorophenyl)-6-methyl-N-propylheptan-2-amine
CID 83162303
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933
1-(3-chlorophenyl)-N-propylhex-5-yn-2-amine
CID 55247955
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
1-butan-2-ylsulfanyl-3-(3-chlorophenyl)-N-propylpropan-2-amine
CID 65136450
1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine
CID 105085865
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine (CID 66046965) is 1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine is C=C(CC)CC(Cc1cccc(Cl)c1)NCCC.
What is the InChIKey of 1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine?
The InChIKey is ZKQOOASDPWTODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-4-9-18-16(10-13(3)5-2)12-14-7-6-8-15(17)11-14/h6-8,11,16,18H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine?
1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine has a molecular weight of 265.83 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine is sourced from PubChem (CID 66046965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).