2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine

C15H23F2N — CID 105408036

IUPAC2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N/c1-4-5-12(10-18-11(2)3)6-13-7-14(16)9-15(17)8-13/h7-9,11-12,18H,4-6,10H2,1-3H3
InChIKeyHNWPAEBKHFRDJP-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.92
Rot. Bonds7

About 2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine

2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 105408036) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID105408036
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N/c1-4-5-12(10-18-11(2)3)6-13-7-14(16)9-15(17)8-13/h7-9,11-12,18H,4-6,10H2,1-3H3
InChIKeyHNWPAEBKHFRDJP-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55194499
3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64666039
2-[(3,5-difluorophenyl)methyl]pentan-1-ol
CID 105410780
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-[(2-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 63498524
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 79708937
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
1-chloro-3-(2-ethylpentyl)-5-fluorobenzene
CID 134350975
2-[(3,5-difluorophenyl)methyl]-4-methyl-N-propylpentan-1-amine
CID 105408024
2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
CID 63522096
2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 112654146
2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine (CID 105408036) is 2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is HNWPAEBKHFRDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-4-5-12(10-18-11(2)3)6-13-7-14(16)9-15(17)8-13/h7-9,11-12,18H,4-6,10H2,1-3H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 105408036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).