1-(3-chlorophenyl)-N-ethyldecan-2-amine

C18H30ClN — CID 63412164

IUPAC1-(3-chlorophenyl)-N-ethyldecan-2-amine
SMILESCCCCCCCCC(Cc1cccc(Cl)c1)NCC
InChIInChI=1S/C18H30ClN/c1-3-5-6-7-8-9-13-18(20-4-2)15-16-11-10-12-17(19)14-16/h10-12,14,18,20H,3-9,13,15H2,1-2H3
InChIKeyOKMWAOOEZBUNID-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.61
Rot. Bonds11

About 1-(3-chlorophenyl)-N-ethyldecan-2-amine

1-(3-chlorophenyl)-N-ethyldecan-2-amine (PubChem CID 63412164) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyldecan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyldecan-2-amine
PubChem CID63412164
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name1-(3-chlorophenyl)-N-ethyldecan-2-amine
SMILESCCCCCCCCC(Cc1cccc(Cl)c1)NCC
InChIInChI=1S/C18H30ClN/c1-3-5-6-7-8-9-13-18(20-4-2)15-16-11-10-12-17(19)14-16/h10-12,14,18,20H,3-9,13,15H2,1-2H3
InChIKeyOKMWAOOEZBUNID-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-N-ethyldecan-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-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
CID 103043062
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
1-(3-chlorophenyl)-6-methyl-N-propylheptan-2-amine
CID 83162303
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
1-chloro-3-(2-chloroheptyl)benzene
CID 63544270
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyldecan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyldecan-2-amine (CID 63412164) is 1-(3-chlorophenyl)-N-ethyldecan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyldecan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyldecan-2-amine is CCCCCCCCC(Cc1cccc(Cl)c1)NCC.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyldecan-2-amine?
The InChIKey is OKMWAOOEZBUNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-3-5-6-7-8-9-13-18(20-4-2)15-16-11-10-12-17(19)14-16/h10-12,14,18,20H,3-9,13,15H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyldecan-2-amine?
1-(3-chlorophenyl)-N-ethyldecan-2-amine has a molecular weight of 295.90 g/mol, XLogP of 5.61, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyldecan-2-amine is sourced from PubChem (CID 63412164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).