3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine

C17H27FN2 — CID 65281721

IUPAC3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
SMILESCC1(C)CCCN(CCC(N)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2/c1-17(2)9-3-11-20(13-10-17)12-8-16(19)14-4-6-15(18)7-5-14/h4-7,16H,3,8-13,19H2,1-2H3
InChIKeyZHDRHMKXABFKLG-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.73
Rot. Bonds4

About 3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine

3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine (PubChem CID 65281721) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
PubChem CID65281721
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
SMILESCC1(C)CCCN(CCC(N)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2/c1-17(2)9-3-11-20(13-10-17)12-8-16(19)14-4-6-15(18)7-5-14/h4-7,16H,3,8-13,19H2,1-2H3
InChIKeyZHDRHMKXABFKLG-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62932000
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767
3-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 62932007
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202
1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81114930
1-[3-amino-3-(3,5-difluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81116508
2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107521139
1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107522247
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol
CID 82685405
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643238

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine (CID 65281721) is 3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine is CC1(C)CCCN(CCC(N)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine?
The InChIKey is ZHDRHMKXABFKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-17(2)9-3-11-20(13-10-17)12-8-16(19)14-4-6-15(18)7-5-14/h4-7,16H,3,8-13,19H2,1-2H3.
What are the key properties of 3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine?
3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 65281721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).