(1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine

C13H16FN — CID 129395522

IUPAC(1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine
SMILESC=C=CCCC[C@H](N)c1cccc(F)c1
InChIInChI=1S/C13H16FN/c1-2-3-4-5-9-13(15)11-7-6-8-12(14)10-11/h3,6-8,10,13H,1,4-5,9,15H2/t13-/m0/s1
InChIKeyTUOQCKGPXFANEA-ZDUSSCGKSA-N
MW205.28 g/mol
LogP3.34
Rot. Bonds5

About (1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine

(1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine (PubChem CID 129395522) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine
PubChem CID129395522
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine
SMILESC=C=CCCC[C@H](N)c1cccc(F)c1
InChIInChI=1S/C13H16FN/c1-2-3-4-5-9-13(15)11-7-6-8-12(14)10-11/h3,6-8,10,13H,1,4-5,9,15H2/t13-/m0/s1
InChIKeyTUOQCKGPXFANEA-ZDUSSCGKSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
CID 107523915
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3-fluorophenyl)-4-methoxypentan-1-amine
CID 105092989
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
4-fluoro-4-(3-fluorophenyl)butan-1-amine
CID 83855480

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine?
The IUPAC name of (1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine (CID 129395522) is (1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine is C=C=CCCC[C@H](N)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine?
The InChIKey is TUOQCKGPXFANEA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16FN/c1-2-3-4-5-9-13(15)11-7-6-8-12(14)10-11/h3,6-8,10,13H,1,4-5,9,15H2/t13-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine?
(1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine has a molecular weight of 205.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine is sourced from PubChem (CID 129395522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).