(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride

C12H17ClF3N — CID 171226375

IUPAC(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H16F3N.ClH/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15;/h4-6,8,11H,2-3,7,16H2,1H3;1H/t11-;/m0./s1
InChIKeyNFCXDEPRMSZQJT-MERQFXBCSA-N
MW267.72 g/mol
LogP4.32
Rot. Bonds4

About (1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride

(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride (PubChem CID 171226375) has the molecular formula C12H17ClF3N and a molecular weight of 267.72 g/mol. Its IUPAC name is (1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
PubChem CID171226375
Molecular FormulaC12H17ClF3N
Molecular Weight267.72 g/mol
Exact Mass267.10
IUPAC Name(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H16F3N.ClH/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15;/h4-6,8,11H,2-3,7,16H2,1H3;1H/t11-;/m0./s1
InChIKeyNFCXDEPRMSZQJT-MERQFXBCSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
1-heptan-3-yl-3-(trifluoromethyl)benzene
CID 132500569
1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine
CID 174057560
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 105141503
1-[3-(trifluoromethyl)phenyl]nonylhydrazine
CID 105193857
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride
CID 171214579

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride (CID 171226375) is (1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride is CCCC[C@H](N)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of (1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
The InChIKey is NFCXDEPRMSZQJT-MERQFXBCSA-N. The full InChI is InChI=1S/C12H16F3N.ClH/c1-2-3-7-11(16)9-5-4-6-10(8-9)12(13,14)15;/h4-6,8,11H,2-3,7,16H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride has a molecular weight of 267.72 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 171226375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).