4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine

C14H21F2N — CID 66581986

IUPAC4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine
SMILESCC(C)(C)c1cccc(CCC(F)(F)CN)c1
InChIInChI=1S/C14H21F2N/c1-13(2,3)12-6-4-5-11(9-12)7-8-14(15,16)10-17/h4-6,9H,7-8,10,17H2,1-3H3
InChIKeyONHSZVVBKVGFTH-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.51
Rot. Bonds4

About 4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine

4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine (PubChem CID 66581986) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine.

Molecular Properties

Compound Name4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine
PubChem CID66581986
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine
SMILESCC(C)(C)c1cccc(CCC(F)(F)CN)c1
InChIInChI=1S/C14H21F2N/c1-13(2,3)12-6-4-5-11(9-12)7-8-14(15,16)10-17/h4-6,9H,7-8,10,17H2,1-3H3
InChIKeyONHSZVVBKVGFTH-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-tert-butylphenyl)-2,2-difluorobutan-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-difluoro-4-(3-methylphenyl)butan-1-amine
CID 118527282
5-(3-tert-butylphenyl)-2-fluoropentan-2-amine
CID 70646222
2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
CID 115040642
4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine
CID 116992656
[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115026580
3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol
CID 116545598
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
1-(3,3-difluorobutyl)-3-methylbenzene
CID 169204430
4-(3-bromophenyl)-2,2-dimethylbutan-1-amine
CID 83549630
N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119524236
1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine
CID 105478195
(3-tert-butylphenyl)methanesulfonamide
CID 58532418

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine?
The IUPAC name of 4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine (CID 66581986) is 4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine.
What is the SMILES notation for 4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine?
The canonical SMILES for 4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine is CC(C)(C)c1cccc(CCC(F)(F)CN)c1.
What is the InChIKey of 4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine?
The InChIKey is ONHSZVVBKVGFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-13(2,3)12-6-4-5-11(9-12)7-8-14(15,16)10-17/h4-6,9H,7-8,10,17H2,1-3H3.
What are the key properties of 4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine?
4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine is sourced from PubChem (CID 66581986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).