5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine

C16H25ClFN — CID 64717449

IUPAC5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H25ClFN/c1-5-8-19-12(2)10-16(3,4)11-13-6-7-14(18)9-15(13)17/h6-7,9,12,19H,5,8,10-11H2,1-4H3
InChIKeyNFRAXMRESYGPCP-UHFFFAOYSA-N
MW285.83 g/mol
LogP4.83
Rot. Bonds7

About 5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine

5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine (PubChem CID 64717449) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
PubChem CID64717449
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H25ClFN/c1-5-8-19-12(2)10-16(3,4)11-13-6-7-14(18)9-15(13)17/h6-7,9,12,19H,5,8,10-11H2,1-4H3
InChIKeyNFRAXMRESYGPCP-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,2-dimethylpentyl)-2-chloro-4-fluorobenzene
CID 64717266
1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025074
5-(2-chloro-4-methylphenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 106870193
5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 79712186
5-(4-chloro-2-fluorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 114860071
4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine
CID 64715133
1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63033879
1-(2-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 65146783
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
CID 63419904
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
1-chloro-2-(4-chloro-2,2-dimethylpentyl)-4-fluorobenzene
CID 102620544

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine (CID 64717449) is 5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine is CCCNC(C)CC(C)(C)Cc1ccc(F)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is NFRAXMRESYGPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-5-8-19-12(2)10-16(3,4)11-13-6-7-14(18)9-15(13)17/h6-7,9,12,19H,5,8,10-11H2,1-4H3.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine has a molecular weight of 285.83 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 64717449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).