1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine

C16H25ClFN — CID 63419888

IUPAC1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1ccc(F)cc1Cl
InChIInChI=1S/C16H25ClFN/c1-4-6-7-12(5-2)10-16(19-3)14-9-8-13(18)11-15(14)17/h8-9,11-12,16,19H,4-7,10H2,1-3H3
InChIKeyYKCGMMRIWGJBAJ-UHFFFAOYSA-N
MW285.83 g/mol
LogP5.35
Rot. Bonds8

About 1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine

1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine (PubChem CID 63419888) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
PubChem CID63419888
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1ccc(F)cc1Cl
InChIInChI=1S/C16H25ClFN/c1-4-6-7-12(5-2)10-16(19-3)14-9-8-13(18)11-15(14)17/h8-9,11-12,16,19H,4-7,10H2,1-3H3
InChIKeyYKCGMMRIWGJBAJ-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.83
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-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

3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 63416460
1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105103285
1-(5-chloro-2-methylphenyl)-3-ethyl-N-methylheptan-1-amine
CID 115806267
1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine
CID 106858447
1-(2-chloro-4-fluorophenyl)-N,4-dimethylpentan-1-amine
CID 62946027
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277
1-(2-bromo-4-fluorophenyl)-N,3-diethylheptan-1-amine
CID 115806017
1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105102919
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806713
1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 55152422

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine (CID 63419888) is 1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine is CCCCC(CC)CC(NC)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine?
The InChIKey is YKCGMMRIWGJBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-4-6-7-12(5-2)10-16(19-3)14-9-8-13(18)11-15(14)17/h8-9,11-12,16,19H,4-7,10H2,1-3H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine?
1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine has a molecular weight of 285.83 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine is sourced from PubChem (CID 63419888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).