3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine

C17H25FN2 — CID 43830345

IUPAC3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine
SMILESC=C(C)CC(N)(c1ccc(F)cc1)C(C)N1CCCC1
InChIInChI=1S/C17H25FN2/c1-13(2)12-17(19,14(3)20-10-4-5-11-20)15-6-8-16(18)9-7-15/h6-9,14H,1,4-5,10-12,19H2,2-3H3
InChIKeyBWDWEPZUHSVGMI-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.43
Rot. Bonds5

About 3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine

3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine (PubChem CID 43830345) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine
PubChem CID43830345
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine
SMILESC=C(C)CC(N)(c1ccc(F)cc1)C(C)N1CCCC1
InChIInChI=1S/C17H25FN2/c1-13(2)12-17(19,14(3)20-10-4-5-11-20)15-6-8-16(18)9-7-15/h6-9,14H,1,4-5,10-12,19H2,2-3H3
InChIKeyBWDWEPZUHSVGMI-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine
CID 43830466
1-(azepan-1-yl)-2-(4-fluorophenyl)-3-methylbutan-2-amine
CID 43830467
3-(4-chlorophenyl)-2-piperidin-1-ylpentan-3-amine
CID 43830737
2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpent-4-en-2-amine
CID 43830886
1-(4-fluorophenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 16790834
3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine
CID 43830303
2-ethoxycarbonyl-2-(4-fluorophenyl)-4-methylpent-4-enoic acid
CID 103974832
2-(2-fluorophenyl)-3-piperidin-1-ylbutan-2-amine
CID 43830514
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine
CID 43829826
1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine
CID 171273254
2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol
CID 90871387

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine (CID 43830345) is 3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine is C=C(C)CC(N)(c1ccc(F)cc1)C(C)N1CCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
The InChIKey is BWDWEPZUHSVGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-13(2)12-17(19,14(3)20-10-4-5-11-20)15-6-8-16(18)9-7-15/h6-9,14H,1,4-5,10-12,19H2,2-3H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine?
3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine has a molecular weight of 276.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-2-pyrrolidin-1-ylhex-5-en-3-amine is sourced from PubChem (CID 43830345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).