2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine

C10H11ClF3N — CID 82534388

IUPAC2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCc1ccc(Cl)cc1C(CN)C(F)(F)F
InChIInChI=1S/C10H11ClF3N/c1-6-2-3-7(11)4-8(6)9(5-15)10(12,13)14/h2-4,9H,5,15H2,1H3
InChIKeyRZWKMSLTXGBENM-UHFFFAOYSA-N
MW237.65 g/mol
LogP3.25
Rot. Bonds2

About 2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine

2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 82534388) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID82534388
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCc1ccc(Cl)cc1C(CN)C(F)(F)F
InChIInChI=1S/C10H11ClF3N/c1-6-2-3-7(11)4-8(6)9(5-15)10(12,13)14/h2-4,9H,5,15H2,1H3
InChIKeyRZWKMSLTXGBENM-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 82534397
(2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 96707876
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206
1-(5-chloro-2-methylphenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 104992924
1-(5-chloro-2-methylphenyl)pent-4-yn-1-amine
CID 115859365
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 82534396
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 82874545
(1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 130898767
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 131146815

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine (CID 82534388) is 2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine is Cc1ccc(Cl)cc1C(CN)C(F)(F)F.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is RZWKMSLTXGBENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-6-2-3-7(11)4-8(6)9(5-15)10(12,13)14/h2-4,9H,5,15H2,1H3.
What are the key properties of 2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine?
2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 237.65 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 82534388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).