(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine

C10H13F2N — CID 130642461

IUPAC(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1ccc(C)c(F)c1F
InChIInChI=1S/C10H13F2N/c1-6-4-5-8(7(2)13-3)10(12)9(6)11/h4-5,7,13H,1-3H3/t7-/m0/s1
InChIKeySVMKLSTVYZJIOD-ZETCQYMHSA-N
MW185.22 g/mol
LogP2.55
Rot. Bonds2

About (1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine

(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine (PubChem CID 130642461) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is (1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
PubChem CID130642461
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1ccc(C)c(F)c1F
InChIInChI=1S/C10H13F2N/c1-6-4-5-8(7(2)13-3)10(12)9(6)11/h4-5,7,13H,1-3H3/t7-/m0/s1
InChIKeySVMKLSTVYZJIOD-ZETCQYMHSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 107513536
1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 107513221
1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714352
1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 82783166
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 107513662
2-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 117280430
1-(2,3-difluoro-4-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 107513729
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 82491046
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107513318
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of (1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine (CID 130642461) is (1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for (1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine is CN[C@@H](C)c1ccc(C)c(F)c1F.
What is the InChIKey of (1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine?
The InChIKey is SVMKLSTVYZJIOD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13F2N/c1-6-4-5-8(7(2)13-3)10(12)9(6)11/h4-5,7,13H,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine?
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine has a molecular weight of 185.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 130642461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).