1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine

C14H21ClFN — CID 63417997

IUPAC1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H21ClFN/c1-3-5-6-7-14(17-4-2)12-9-8-11(15)10-13(12)16/h8-10,14,17H,3-7H2,1-2H3
InChIKeySCIYYZDRTPDFFH-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.71
Rot. Bonds7

About 1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine

1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine (PubChem CID 63417997) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
PubChem CID63417997
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H21ClFN/c1-3-5-6-7-14(17-4-2)12-9-8-11(15)10-13(12)16/h8-10,14,17H,3-7H2,1-2H3
InChIKeySCIYYZDRTPDFFH-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-2-fluorophenyl)-N-ethylhexan-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

1-(2,4-difluorophenyl)-N-ethylheptan-1-amine
CID 55185685
1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
CID 114886331
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 78924376
1-(4-chloro-2-fluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009080
1-(4-chloro-2,5-difluorophenyl)-N-ethylhexan-1-amine
CID 115837042
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
CID 115837624
N-ethyl-1-(2,4,5-trifluorophenyl)nonan-1-amine
CID 103302785
N-ethyl-1-(2,4,5-trifluorophenyl)heptan-1-amine
CID 103302611
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
1-(4-bromo-5-chloro-2-fluorophenyl)-N-ethylheptan-1-amine
CID 105398949
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine (CID 63417997) is 1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine is CCCCCC(NCC)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine?
The InChIKey is SCIYYZDRTPDFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-3-5-6-7-14(17-4-2)12-9-8-11(15)10-13(12)16/h8-10,14,17H,3-7H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine?
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine has a molecular weight of 257.78 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine is sourced from PubChem (CID 63417997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).