1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine

C15H23ClFN — CID 114013602

IUPAC1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(F)cc1Cl)C(C)CCC
InChIInChI=1S/C15H23ClFN/c1-4-6-11(3)15(18-9-5-2)13-8-7-12(17)10-14(13)16/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyHFCKOIGVTZXDHO-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.96
Rot. Bonds7

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

1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine (PubChem CID 114013602) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
PubChem CID114013602
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(F)cc1Cl)C(C)CCC
InChIInChI=1S/C15H23ClFN/c1-4-6-11(3)15(18-9-5-2)13-8-7-12(17)10-14(13)16/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyHFCKOIGVTZXDHO-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105396931
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105394946
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105399147
1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine
CID 107893741
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine
CID 107887203
1-(4-bromo-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 114013519
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine (CID 114013602) is 1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1ccc(F)cc1Cl)C(C)CCC.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is HFCKOIGVTZXDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-4-6-11(3)15(18-9-5-2)13-8-7-12(17)10-14(13)16/h7-8,10-11,15,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine?
1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114013602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).