2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine

C17H27FN2 — CID 43830525

IUPAC2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine
SMILESCCC(N)(c1ccccc1F)C(C)N1CCCCCC1
InChIInChI=1S/C17H27FN2/c1-3-17(19,15-10-6-7-11-16(15)18)14(2)20-12-8-4-5-9-13-20/h6-7,10-11,14H,3-5,8-9,12-13,19H2,1-2H3
InChIKeyFBFSJYNQGCYXOT-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.65
Rot. Bonds4

About 2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine

2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine (PubChem CID 43830525) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine
PubChem CID43830525
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine
SMILESCCC(N)(c1ccccc1F)C(C)N1CCCCCC1
InChIInChI=1S/C17H27FN2/c1-3-17(19,15-10-6-7-11-16(15)18)14(2)20-12-8-4-5-9-13-20/h6-7,10-11,14H,3-5,8-9,12-13,19H2,1-2H3
InChIKeyFBFSJYNQGCYXOT-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-3-piperidin-1-ylbutan-2-amine
CID 43830514
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine
CID 43830737
3-(2-fluorophenyl)-4-N,4-N-dipropylhexane-3,4-diamine
CID 43830575
3-phenyl-4-pyrrolidin-1-ylheptan-3-amine
CID 43829646
3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine
CID 43830345
2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine
CID 43830706
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
2-(2-fluorophenyl)-1-phenylbutan-2-amine
CID 79007656
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
2-(2-fluorophenyl)-2-(methylamino)butanamide
CID 112677135

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine?
The IUPAC name of 2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine (CID 43830525) is 2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine.
What is the SMILES notation for 2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine?
The canonical SMILES for 2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine is CCC(N)(c1ccccc1F)C(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine?
The InChIKey is FBFSJYNQGCYXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-17(19,15-10-6-7-11-16(15)18)14(2)20-12-8-4-5-9-13-20/h6-7,10-11,14H,3-5,8-9,12-13,19H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine?
2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine has a molecular weight of 278.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine is sourced from PubChem (CID 43830525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).