N-[(3-fluorophenyl)methyl]hex-5-en-2-amine

C13H18FN — CID 75525500

IUPACN-[(3-fluorophenyl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1cccc(F)c1
InChIInChI=1S/C13H18FN/c1-3-4-6-11(2)15-10-12-7-5-8-13(14)9-12/h3,5,7-9,11,15H,1,4,6,10H2,2H3
InChIKeyPDXBLHHAWINJOK-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.27
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]hex-5-en-2-amine

N-[(3-fluorophenyl)methyl]hex-5-en-2-amine (PubChem CID 75525500) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]hex-5-en-2-amine
PubChem CID75525500
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-[(3-fluorophenyl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1cccc(F)c1
InChIInChI=1S/C13H18FN/c1-3-4-6-11(2)15-10-12-7-5-8-13(14)9-12/h3,5,7-9,11,15H,1,4,6,10H2,2H3
InChIKeyPDXBLHHAWINJOK-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3-fluorophenyl)methyl]hex-5-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633143
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
N-[(3,4-difluorophenyl)methyl]hex-5-en-2-amine
CID 104581930
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338
1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115626138
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
N-[(4-chlorophenyl)methyl]hex-5-en-2-amine
CID 75525488
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
N-[(3-fluorophenyl)methyl]hept-6-en-1-amine
CID 107006535

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]hex-5-en-2-amine (CID 75525500) is N-[(3-fluorophenyl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]hex-5-en-2-amine is C=CCCC(C)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]hex-5-en-2-amine?
The InChIKey is PDXBLHHAWINJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-3-4-6-11(2)15-10-12-7-5-8-13(14)9-12/h3,5,7-9,11,15H,1,4,6,10H2,2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]hex-5-en-2-amine?
N-[(3-fluorophenyl)methyl]hex-5-en-2-amine has a molecular weight of 207.29 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 75525500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).