3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine

C17H27FN2 — CID 65281767

IUPAC3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESCC1(C)CCCN(CCC(N)c2ccccc2F)CC1
InChIInChI=1S/C17H27FN2/c1-17(2)9-5-11-20(13-10-17)12-8-16(19)14-6-3-4-7-15(14)18/h3-4,6-7,16H,5,8-13,19H2,1-2H3
InChIKeyPJYFAHKUXKMOJM-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.73
Rot. Bonds4

About 3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine

3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 65281767) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID65281767
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESCC1(C)CCCN(CCC(N)c2ccccc2F)CC1
InChIInChI=1S/C17H27FN2/c1-17(2)9-5-11-20(13-10-17)12-8-16(19)14-6-3-4-7-15(14)18/h3-4,6-7,16H,5,8-13,19H2,1-2H3
InChIKeyPJYFAHKUXKMOJM-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 ≤ 500278.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164
1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62643582
3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 65281721
2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058293
1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 62643929
1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939924
[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol
CID 62644418
3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643340
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643618
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643237
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
CID 81116211

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine (CID 65281767) is 3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine is CC1(C)CCCN(CCC(N)c2ccccc2F)CC1.
What is the InChIKey of 3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is PJYFAHKUXKMOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-17(2)9-5-11-20(13-10-17)12-8-16(19)14-6-3-4-7-15(14)18/h3-4,6-7,16H,5,8-13,19H2,1-2H3.
What are the key properties of 3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine?
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 278.41 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-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 65281767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).