N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine

C17H27F2N — CID 63497814

IUPACN-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)Cc1cc(F)ccc1F
InChIInChI=1S/C17H27F2N/c1-12(2)8-13(11-20-17(3,4)5)9-14-10-15(18)6-7-16(14)19/h6-7,10,12-13,20H,8-9,11H2,1-5H3
InChIKeyAPYQWTNHKKAPRD-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.56
Rot. Bonds6

About N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine

N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine (PubChem CID 63497814) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine
PubChem CID63497814
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)Cc1cc(F)ccc1F
InChIInChI=1S/C17H27F2N/c1-12(2)8-13(11-20-17(3,4)5)9-14-10-15(18)6-7-16(14)19/h6-7,10,12-13,20H,8-9,11H2,1-5H3
InChIKeyAPYQWTNHKKAPRD-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-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-(bromomethyl)-4-methylpentyl]-1,4-difluorobenzene
CID 66050500
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497978
N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 55196404
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497993
N-tert-butyl-4-(2,4-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 81015212
N-tert-butyl-3-(4-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 64664802
N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63497991
N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine
CID 79438111
2-[(2,5-difluorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62515213
N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 82925740
2-[3-bromo-2-(bromomethyl)propyl]-1,4-difluorobenzene
CID 79453351
N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 63497972

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine (CID 63497814) is N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine is CC(C)CC(CNC(C)(C)C)Cc1cc(F)ccc1F.
What is the InChIKey of N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine?
The InChIKey is APYQWTNHKKAPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N/c1-12(2)8-13(11-20-17(3,4)5)9-14-10-15(18)6-7-16(14)19/h6-7,10,12-13,20H,8-9,11H2,1-5H3.
What are the key properties of N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine?
N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 63497814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).