1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine

C17H27ClFN — CID 103043062

IUPAC1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(F)c(Cl)c1)NCC
InChIInChI=1S/C17H27ClFN/c1-3-5-6-7-8-9-15(20-4-2)12-14-10-11-17(19)16(18)13-14/h10-11,13,15,20H,3-9,12H2,1-2H3
InChIKeyKNHIUGQKZZYACO-UHFFFAOYSA-N
MW299.86 g/mol
LogP5.36
Rot. Bonds10

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

1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine (PubChem CID 103043062) has the molecular formula C17H27ClFN and a molecular weight of 299.86 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
PubChem CID103043062
Molecular FormulaC17H27ClFN
Molecular Weight299.86 g/mol
Exact Mass299.18
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(F)c(Cl)c1)NCC
InChIInChI=1S/C17H27ClFN/c1-3-5-6-7-8-9-15(20-4-2)12-14-10-11-17(19)16(18)13-14/h10-11,13,15,20H,3-9,12H2,1-2H3
InChIKeyKNHIUGQKZZYACO-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.86
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
CID 103044391
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
CID 103043472
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
CID 103039854
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
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1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine (CID 103043062) is 1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine is CCCCCCCC(Cc1ccc(F)c(Cl)c1)NCC.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine?
The InChIKey is KNHIUGQKZZYACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClFN/c1-3-5-6-7-8-9-15(20-4-2)12-14-10-11-17(19)16(18)13-14/h10-11,13,15,20H,3-9,12H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine?
1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine has a molecular weight of 299.86 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine is sourced from PubChem (CID 103043062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).