1,1-difluoro-3-(3-methylphenyl)propan-2-amine

C10H13F2N — CID 84660101

IUPAC1,1-difluoro-3-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(CC(N)C(F)F)c1
InChIInChI=1S/C10H13F2N/c1-7-3-2-4-8(5-7)6-9(13)10(11)12/h2-5,9-10H,6,13H2,1H3
InChIKeyFQDKAQRYPOIXFE-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.13
Rot. Bonds3

About 1,1-difluoro-3-(3-methylphenyl)propan-2-amine

1,1-difluoro-3-(3-methylphenyl)propan-2-amine (PubChem CID 84660101) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 1,1-difluoro-3-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-(3-methylphenyl)propan-2-amine
PubChem CID84660101
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name1,1-difluoro-3-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(CC(N)C(F)F)c1
InChIInChI=1S/C10H13F2N/c1-7-3-2-4-8(5-7)6-9(13)10(11)12/h2-5,9-10H,6,13H2,1H3
InChIKeyFQDKAQRYPOIXFE-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311693
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 103759785
3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715238
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
3-ethoxy-1-(3-methylphenyl)pentan-2-amine
CID 116716414
2-amino-3-(3-methylphenyl)propanal
CID 82415099
1-(4-fluoro-2-methylpentyl)-3-methylbenzene
CID 159383245
6,6,6-trifluoro-1-(3-methylphenyl)hexan-2-amine
CID 113326992
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-3-(3-methylphenyl)propan-2-amine (CID 84660101) is 1,1-difluoro-3-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-3-(3-methylphenyl)propan-2-amine is Cc1cccc(CC(N)C(F)F)c1.
What is the InChIKey of 1,1-difluoro-3-(3-methylphenyl)propan-2-amine?
The InChIKey is FQDKAQRYPOIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7-3-2-4-8(5-7)6-9(13)10(11)12/h2-5,9-10H,6,13H2,1H3.
What are the key properties of 1,1-difluoro-3-(3-methylphenyl)propan-2-amine?
1,1-difluoro-3-(3-methylphenyl)propan-2-amine has a molecular weight of 185.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 84660101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).