3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride

C10H14ClF2N — CID 47002202

IUPAC3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
SMILESCC(C)CNc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C10H13F2N.ClH/c1-7(2)6-13-10-4-8(11)3-9(12)5-10;/h3-5,7,13H,6H2,1-2H3;1H
InChIKeyKKHLQQYJBXRPGE-UHFFFAOYSA-N
MW221.68 g/mol
LogP3.45
Rot. Bonds3

About 3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride

3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride (PubChem CID 47002202) has the molecular formula C10H14ClF2N and a molecular weight of 221.68 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride.

Molecular Properties

Compound Name3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
PubChem CID47002202
Molecular FormulaC10H14ClF2N
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Name3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
SMILESCC(C)CNc1cc(F)cc(F)c1.Cl
InChIInChI=1S/C10H13F2N.ClH/c1-7(2)6-13-10-4-8(11)3-9(12)5-10;/h3-5,7,13H,6H2,1-2H3;1H
InChIKeyKKHLQQYJBXRPGE-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
3,4,5-trifluoro-N-(2-methylpropyl)aniline
CID 62809579
N-(2,2-difluoroethyl)-3,5-difluoroaniline
CID 60922925
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411
N-(2,2-dimethoxyethyl)-3,5-difluoroaniline
CID 63686979
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
5-fluoro-N-(2-methylpropyl)pyridin-3-amine
CID 130485397
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107875822
3,5-dibromo-N-(2-methylpropyl)aniline
CID 154120132
2,3,5-trifluoro-N-(2-methylpropyl)aniline
CID 62811497

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride?
The IUPAC name of 3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride (CID 47002202) is 3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride.
What is the SMILES notation for 3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride?
The canonical SMILES for 3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride is CC(C)CNc1cc(F)cc(F)c1.Cl.
What is the InChIKey of 3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride?
The InChIKey is KKHLQQYJBXRPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N.ClH/c1-7(2)6-13-10-4-8(11)3-9(12)5-10;/h3-5,7,13H,6H2,1-2H3;1H.
What are the key properties of 3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride?
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride has a molecular weight of 221.68 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride is sourced from PubChem (CID 47002202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).