1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine

C14H21F2N — CID 63891511

IUPAC1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine
SMILESCNC(Cc1cc(F)ccc1F)CC(C)(C)C
InChIInChI=1S/C14H21F2N/c1-14(2,3)9-12(17-4)8-10-7-11(15)5-6-13(10)16/h5-7,12,17H,8-9H2,1-4H3
InChIKeyNMGJQUWJBMBTSA-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.53
Rot. Bonds4

About 1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine

1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine (PubChem CID 63891511) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine
PubChem CID63891511
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine
SMILESCNC(Cc1cc(F)ccc1F)CC(C)(C)C
InChIInChI=1S/C14H21F2N/c1-14(2,3)9-12(17-4)8-10-7-11(15)5-6-13(10)16/h5-7,12,17H,8-9H2,1-4H3
InChIKeyNMGJQUWJBMBTSA-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-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

1-(2,3-difluorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-2-amine
CID 115809477
1-(2,5-difluorophenyl)-N-methylundecan-2-amine
CID 115810021
[1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105377796
N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
CID 61065068
4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)-N-methylbutan-2-amine
CID 103149150
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
1-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861
1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 63890254
1-(2,5-difluorophenyl)pentan-2-ylhydrazine
CID 105202060
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135
4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 61392693
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114347757

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine (CID 63891511) is 1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine is CNC(Cc1cc(F)ccc1F)CC(C)(C)C.
What is the InChIKey of 1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine?
The InChIKey is NMGJQUWJBMBTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-14(2,3)9-12(17-4)8-10-7-11(15)5-6-13(10)16/h5-7,12,17H,8-9H2,1-4H3.
What are the key properties of 1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine?
1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 63891511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).