N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine

C16H23ClFN — CID 134423179

IUPACN-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine
SMILESC=C(NCC(CCC)CCC)c1cc(F)cc(Cl)c1
InChIInChI=1S/C16H23ClFN/c1-4-6-13(7-5-2)11-19-12(3)14-8-15(17)10-16(18)9-14/h8-10,13,19H,3-7,11H2,1-2H3
InChIKeySJBAXOXLACXOHF-UHFFFAOYSA-N
MW283.82 g/mol
LogP5.26
Rot. Bonds8

About N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine

N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine (PubChem CID 134423179) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine
PubChem CID134423179
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC NameN-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine
SMILESC=C(NCC(CCC)CCC)c1cc(F)cc(Cl)c1
InChIInChI=1S/C16H23ClFN/c1-4-6-13(7-5-2)11-19-12(3)14-8-15(17)10-16(18)9-14/h8-10,13,19H,3-7,11H2,1-2H3
InChIKeySJBAXOXLACXOHF-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.82
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
CID 104938136
3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
1-chloro-3-(2-ethylpentyl)-5-fluorobenzene
CID 134350975
2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
CID 106117476
1-(3-chloro-5-fluorophenyl)propan-1-one;ethane
CID 162236083
2-chloro-1-(3-chloro-5-fluorophenyl)butan-1-one
CID 130820578
N-(3-methylbuta-1,3-dien-2-yl)-2-propylpentan-1-amine
CID 166712387
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide
CID 125443294
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine?
The IUPAC name of N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine (CID 134423179) is N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine?
The canonical SMILES for N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine is C=C(NCC(CCC)CCC)c1cc(F)cc(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine?
The InChIKey is SJBAXOXLACXOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-4-6-13(7-5-2)11-19-12(3)14-8-15(17)10-16(18)9-14/h8-10,13,19H,3-7,11H2,1-2H3.
What are the key properties of N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine?
N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine is sourced from PubChem (CID 134423179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).