2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine

C16H25F2N — CID 114933374

IUPAC2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)Cc1c(F)cccc1F
InChIInChI=1S/C16H25F2N/c1-4-6-13(11-19-10-12(2)3)9-14-15(17)7-5-8-16(14)18/h5,7-8,12-13,19H,4,6,9-11H2,1-3H3
InChIKeyAXZCZLQDNVPVOH-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.17
Rot. Bonds8

About 2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine

2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine (PubChem CID 114933374) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
PubChem CID114933374
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(CNCC(C)C)Cc1c(F)cccc1F
InChIInChI=1S/C16H25F2N/c1-4-6-13(11-19-10-12(2)3)9-14-15(17)7-5-8-16(14)18/h5,7-8,12-13,19H,4,6,9-11H2,1-3H3
InChIKeyAXZCZLQDNVPVOH-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-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-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 114933368
2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516240
2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
CID 114933384
N-[2-[(2-chloro-6-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528339
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114066197
2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine
CID 63520998
N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine
CID 130392767
1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 112654146
2-[2-(bromomethyl)-4-methylpentyl]-1,3-difluorobenzene
CID 114934926
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine (CID 114933374) is 2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine is CCCC(CNCC(C)C)Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is AXZCZLQDNVPVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-6-13(11-19-10-12(2)3)9-14-15(17)7-5-8-16(14)18/h5,7-8,12-13,19H,4,6,9-11H2,1-3H3.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 269.38 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 114933374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).