3-(3,5-difluorophenyl)-N-propylpropan-1-amine

C12H17F2N — CID 64504664

IUPAC3-(3,5-difluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-2-5-15-6-3-4-10-7-11(13)9-12(14)8-10/h7-9,15H,2-6H2,1H3
InChIKeyOMFQTWCXZZGLEU-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.90
Rot. Bonds6

About 3-(3,5-difluorophenyl)-N-propylpropan-1-amine

3-(3,5-difluorophenyl)-N-propylpropan-1-amine (PubChem CID 64504664) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-propylpropan-1-amine
PubChem CID64504664
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name3-(3,5-difluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-2-5-15-6-3-4-10-7-11(13)9-12(14)8-10/h7-9,15H,2-6H2,1H3
InChIKeyOMFQTWCXZZGLEU-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3,5-difluorophenyl)-N-propylpropan-1-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

4-(3-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 79709608
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
N-[2-(3,5-difluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 114525148
3-(4-chloro-3-fluorophenyl)-N-propylpropan-1-amine
CID 107886749
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107290177
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
CID 62603706
N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine
CID 113410199
2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 62616300

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-N-propylpropan-1-amine (CID 64504664) is 3-(3,5-difluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-propylpropan-1-amine is CCCNCCCc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-propylpropan-1-amine?
The InChIKey is OMFQTWCXZZGLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-2-5-15-6-3-4-10-7-11(13)9-12(14)8-10/h7-9,15H,2-6H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-N-propylpropan-1-amine?
3-(3,5-difluorophenyl)-N-propylpropan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 64504664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).