(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride

C11H13ClF3N — CID 112756156

IUPAC(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)9-3-1-2-8(6-9)10(15)7-4-5-7;/h1-3,6-7,10H,4-5,15H2;1H/t10-;/m0./s1
InChIKeyAEYXRMSWSQYWIG-PPHPATTJSA-N
MW251.68 g/mol
LogP3.54
Rot. Bonds2

About (S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride

(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 112756156) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is (S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID112756156
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)9-3-1-2-8(6-9)10(15)7-4-5-7;/h1-3,6-7,10H,4-5,15H2;1H/t10-;/m0./s1
InChIKeyAEYXRMSWSQYWIG-PPHPATTJSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65423947
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107188498
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 130145934

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 112756156) is (S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.N[C@H](c1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of (S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is AEYXRMSWSQYWIG-PPHPATTJSA-N. The full InChI is InChI=1S/C11H12F3N.ClH/c12-11(13,14)9-3-1-2-8(6-9)10(15)7-4-5-7;/h1-3,6-7,10H,4-5,15H2;1H/t10-;/m0./s1.
What are the key properties of (S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 251.68 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 112756156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).