2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine

C16H25F2N — CID 107887170

IUPAC2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNCC(c1cc(F)cc(F)c1)C(C)CCC
InChIInChI=1S/C16H25F2N/c1-4-6-12(3)16(11-19-7-5-2)13-8-14(17)10-15(18)9-13/h8-10,12,16,19H,4-7,11H2,1-3H3
InChIKeyOUXYCLXIRJYABC-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.48
Rot. Bonds8

About 2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine

2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine (PubChem CID 107887170) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine
PubChem CID107887170
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNCC(c1cc(F)cc(F)c1)C(C)CCC
InChIInChI=1S/C16H25F2N/c1-4-6-12(3)16(11-19-7-5-2)13-8-14(17)10-15(18)9-13/h8-10,12,16,19H,4-7,11H2,1-3H3
InChIKeyOUXYCLXIRJYABC-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-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

2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 79443679
2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine
CID 107887072
2-(2,4-dichlorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107886981
2-[(3,5-difluorophenyl)methyl]-4-methyl-N-propylpentan-1-amine
CID 105408024
3-(3,5-difluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 81015226
2-(2-bromophenyl)-3-methyl-N-propylhexan-1-amine
CID 114012929
1,3-difluoro-5-(4-methylhexan-3-yl)benzene
CID 91575659
2-(3,5-dimethylphenyl)-N,3-dimethylhexan-1-amine
CID 107887092
N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine
CID 79443918
3-methyl-N,2-dipropylhexan-1-amine
CID 107897121
2-(2-chloro-4-fluorophenyl)-N-ethyl-3-methylhexan-1-amine
CID 107887203
N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 107887070

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine?
The IUPAC name of 2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine (CID 107887170) is 2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine is CCCNCC(c1cc(F)cc(F)c1)C(C)CCC.
What is the InChIKey of 2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine?
The InChIKey is OUXYCLXIRJYABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-6-12(3)16(11-19-7-5-2)13-8-14(17)10-15(18)9-13/h8-10,12,16,19H,4-7,11H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine?
2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 107887170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).