3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine

C14H21F2N — CID 103516515

IUPAC3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)C(F)F
InChIInChI=1S/C14H21F2N/c1-14(2,3)11-7-5-10(6-8-11)9-12(17-4)13(15)16/h5-8,12-13,17H,9H2,1-4H3
InChIKeyTXIYPHKZGAUAAB-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.38
Rot. Bonds4

About 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine

3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 103516515) has the molecular formula C14H21F2N and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID103516515
Molecular FormulaC14H21F2N
Molecular Weight241.33 g/mol
Exact Mass241.16
IUPAC Name3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)C(F)F
InChIInChI=1S/C14H21F2N/c1-14(2,3)11-7-5-10(6-8-11)9-12(17-4)13(15)16/h5-8,12-13,17H,9H2,1-4H3
InChIKeyTXIYPHKZGAUAAB-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-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

N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 103516544
5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine
CID 64719182
N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 82989467
1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 103759785
3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103759748
1-(4-tert-butylphenyl)-N-methylhexan-2-amine
CID 79405338
1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 103759818
2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62599855
1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65127961
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
(2R)-3-(4-tert-butylphenyl)-1,1,1-trifluoropropan-2-ol
CID 94905405

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine (CID 103516515) is 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine is CNC(Cc1ccc(C(C)(C)C)cc1)C(F)F.
What is the InChIKey of 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is TXIYPHKZGAUAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-14(2,3)11-7-5-10(6-8-11)9-12(17-4)13(15)16/h5-8,12-13,17H,9H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine?
3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 103516515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).