2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine

C16H24F2N2 — CID 115525529

IUPAC2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine
SMILESCCCN1CCCCC(N)C1c1ccc(C(F)F)cc1
InChIInChI=1S/C16H24F2N2/c1-2-10-20-11-4-3-5-14(19)15(20)12-6-8-13(9-7-12)16(17)18/h6-9,14-16H,2-5,10-11,19H2,1H3
InChIKeyOUVALOJPHWRTQU-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.89
Rot. Bonds4

About 2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine

2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine (PubChem CID 115525529) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine
PubChem CID115525529
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine
SMILESCCCN1CCCCC(N)C1c1ccc(C(F)F)cc1
InChIInChI=1S/C16H24F2N2/c1-2-10-20-11-4-3-5-14(19)15(20)12-6-8-13(9-7-12)16(17)18/h6-9,14-16H,2-5,10-11,19H2,1H3
InChIKeyOUVALOJPHWRTQU-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-1-propylazepan-3-amine
CID 106534377
1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
CID 114557827
2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine
CID 114557828
2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine
CID 114055150
2-(3,4-dibromophenyl)-1-ethylazepan-3-amine
CID 114077570
(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 178196605
N-[[2-[4-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]propan-2-amine
CID 115525468
2-(3-chloro-4-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 81159445
2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705
1-ethyl-2-(3-fluoro-4-methoxyphenyl)azepan-3-amine
CID 65101028
(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine
CID 178199859
2-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)azepan-3-amine
CID 81159300

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine (CID 115525529) is 2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine is CCCN1CCCCC(N)C1c1ccc(C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine?
The InChIKey is OUVALOJPHWRTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-2-10-20-11-4-3-5-14(19)15(20)12-6-8-13(9-7-12)16(17)18/h6-9,14-16H,2-5,10-11,19H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine?
2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine has a molecular weight of 282.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine is sourced from PubChem (CID 115525529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).