2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine

C14H21ClFN — CID 83051112

IUPAC2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine
SMILESCCCC(NCC)C(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H21ClFN/c1-4-6-14(17-5-2)10(3)11-7-8-13(16)12(15)9-11/h7-10,14,17H,4-6H2,1-3H3
InChIKeyDJVYBWTUHGKQDV-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.36
Rot. Bonds6

About 2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine

2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine (PubChem CID 83051112) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine
PubChem CID83051112
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine
SMILESCCCC(NCC)C(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H21ClFN/c1-4-6-14(17-5-2)10(3)11-7-8-13(16)12(15)9-11/h7-10,14,17H,4-6H2,1-3H3
InChIKeyDJVYBWTUHGKQDV-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(3-fluorophenyl)hexan-3-amine
CID 83051952
N-[1-(3-chloro-4-fluorophenyl)ethyl]pentan-2-amine
CID 43093581
N-ethyl-2-[4-(trifluoromethyl)phenyl]hexan-3-amine
CID 83051217
3-(4-chlorophenyl)-N-ethylheptan-4-amine
CID 83051946
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79575549
N-ethyl-2-(2-fluorophenyl)hexan-3-amine
CID 83051211
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 79575664
2-(4-ethoxyphenyl)-N-ethylhexan-3-amine
CID 83051116
1-(3-chloro-4-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 79575550
2-(3-chloro-4-fluorophenyl)-N,4-dimethylpentan-3-amine
CID 79298067
1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 115504411
N-[(3-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 82872461

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine (CID 83051112) is 2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine is CCCC(NCC)C(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine?
The InChIKey is DJVYBWTUHGKQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-4-6-14(17-5-2)10(3)11-7-8-13(16)12(15)9-11/h7-10,14,17H,4-6H2,1-3H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine?
2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine has a molecular weight of 257.78 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-ethylhexan-3-amine is sourced from PubChem (CID 83051112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).