2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride

C9H12ClF2N — CID 122164073

IUPAC2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride
SMILESCc1ccccc1C(F)(F)CN.Cl
InChIInChI=1S/C9H11F2N.ClH/c1-7-4-2-3-5-8(7)9(10,11)6-12;/h2-5H,6,12H2,1H3;1H
InChIKeyLMKOXMVTCQHLSM-UHFFFAOYSA-N
MW207.65 g/mol
LogP2.47
Rot. Bonds2

About 2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride

2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride (PubChem CID 122164073) has the molecular formula C9H12ClF2N and a molecular weight of 207.65 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride
PubChem CID122164073
Molecular FormulaC9H12ClF2N
Molecular Weight207.65 g/mol
Exact Mass207.06
IUPAC Name2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride
SMILESCc1ccccc1C(F)(F)CN.Cl
InChIInChI=1S/C9H11F2N.ClH/c1-7-4-2-3-5-8(7)9(10,11)6-12;/h2-5H,6,12H2,1H3;1H
InChIKeyLMKOXMVTCQHLSM-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.65
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-tert-butylphenyl)-2,2-difluoroethanamine
CID 105425410
2-(2,6-dimethylphenyl)-2,2-difluoroethanamine
CID 91927221
2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine
CID 112566318
2-(2-cyclopropylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 155822751
1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine
CID 105464935
3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine
CID 112566259
2-ethyl-2-(2-methylphenyl)butan-1-amine
CID 60987168
3,3-difluoro-3-(2-methylphenyl)propanoic acid
CID 84669252
2-(2-fluoro-3-methylphenyl)-2-methylpropan-1-amine
CID 83696433
4-amino-3,3-dimethyl-2-(2-methylphenyl)butan-2-ol
CID 79127709
3-amino-2-methyl-2-(2-methylphenyl)propan-1-ol
CID 82280721
2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine
CID 84718573

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride (CID 122164073) is 2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride is Cc1ccccc1C(F)(F)CN.Cl.
What is the InChIKey of 2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride?
The InChIKey is LMKOXMVTCQHLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N.ClH/c1-7-4-2-3-5-8(7)9(10,11)6-12;/h2-5H,6,12H2,1H3;1H.
What are the key properties of 2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride?
2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride has a molecular weight of 207.65 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 122164073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).