(R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride

C19H21ClF3N — CID 171211545

IUPAC(R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCCC1
InChIInChI=1S/C19H20F3N.ClH/c20-19(21,22)17-11-9-14(10-12-17)13-5-7-16(8-6-13)18(23)15-3-1-2-4-15;/h5-12,15,18H,1-4,23H2;1H/t18-;/m1./s1
InChIKeyKNPTXLZOOBGQIP-GMUIIQOCSA-N
MW355.83 g/mol
LogP5.98
Rot. Bonds3

About (R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride

(R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride (PubChem CID 171211545) has the molecular formula C19H21ClF3N and a molecular weight of 355.83 g/mol. Its IUPAC name is (R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
PubChem CID171211545
Molecular FormulaC19H21ClF3N
Molecular Weight355.83 g/mol
Exact Mass355.13
IUPAC Name(R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCCC1
InChIInChI=1S/C19H20F3N.ClH/c20-19(21,22)17-11-9-14(10-12-17)13-5-7-16(8-6-13)18(23)15-3-1-2-4-15;/h5-12,15,18H,1-4,23H2;1H/t18-;/m1./s1
InChIKeyKNPTXLZOOBGQIP-GMUIIQOCSA-N
XLogP5.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 171314104
cyclopentyl-(4-phenylphenyl)methanamine
CID 43098534
cyclooctyl-[4-(trifluoromethyl)phenyl]methanol
CID 80603410
2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 67981332
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
(2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67484387
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
cyclobutyl-[4-(trifluoromethyl)phenyl]methanol
CID 64986363
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67344023
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490
4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride
CID 171198147

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride (CID 171211545) is (R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride is Cl.N[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCCC1.
What is the InChIKey of (R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
The InChIKey is KNPTXLZOOBGQIP-GMUIIQOCSA-N. The full InChI is InChI=1S/C19H20F3N.ClH/c20-19(21,22)17-11-9-14(10-12-17)13-5-7-16(8-6-13)18(23)15-3-1-2-4-15;/h5-12,15,18H,1-4,23H2;1H/t18-;/m1./s1.
What are the key properties of (R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
(R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride has a molecular weight of 355.83 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171211545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).