1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine

C16H25ClFN — CID 63418611

IUPAC1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(Cl)cc1F
InChIInChI=1S/C16H25ClFN/c1-5-10-19-15(8-9-16(2,3)4)13-7-6-12(17)11-14(13)18/h6-7,11,15,19H,5,8-10H2,1-4H3
InChIKeyHSGJJAWTHQOOLJ-UHFFFAOYSA-N
MW285.83 g/mol
LogP5.35
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine

1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 63418611) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID63418611
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(Cl)cc1F
InChIInChI=1S/C16H25ClFN/c1-5-10-19-15(8-9-16(2,3)4)13-7-6-12(17)11-14(13)18/h6-7,11,15,19H,5,8-10H2,1-4H3
InChIKeyHSGJJAWTHQOOLJ-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

4,4-dimethyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 115849735
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737
1-(2-chloro-3-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849855
1-(4-chloro-2-fluorophenyl)-N-propylbut-3-en-1-amine
CID 63081783
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(4-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177275
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
N-[1-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63418437
N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine
CID 103759856
1-(4-bromo-5-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105399185

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine (CID 63418611) is 1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is HSGJJAWTHQOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-5-10-19-15(8-9-16(2,3)4)13-7-6-12(17)11-14(13)18/h6-7,11,15,19H,5,8-10H2,1-4H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 285.83 g/mol, XLogP of 5.35, 6 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)-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 63418611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).