(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride

C12H16Cl2F3N — CID 171209583

IUPAC(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1cc(C(F)(F)F)ccc1Cl.Cl
InChIInChI=1S/C12H15ClF3N.ClH/c1-2-3-4-11(17)9-7-8(12(14,15)16)5-6-10(9)13;/h5-7,11H,2-4,17H2,1H3;1H/t11-;/m1./s1
InChIKeyODCFAMZGBRUJMN-RFVHGSKJSA-N
MW302.17 g/mol
LogP4.97
Rot. Bonds4

About (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride

(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride (PubChem CID 171209583) has the molecular formula C12H16Cl2F3N and a molecular weight of 302.17 g/mol. Its IUPAC name is (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
PubChem CID171209583
Molecular FormulaC12H16Cl2F3N
Molecular Weight302.17 g/mol
Exact Mass301.06
IUPAC Name(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1cc(C(F)(F)F)ccc1Cl.Cl
InChIInChI=1S/C12H15ClF3N.ClH/c1-2-3-4-11(17)9-7-8(12(14,15)16)5-6-10(9)13;/h5-7,11H,2-4,17H2,1H3;1H/t11-;/m1./s1
InChIKeyODCFAMZGBRUJMN-RFVHGSKJSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 171209582
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]butane-1,4-diamine;hydrochloride
CID 171209572
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229213
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171229194
(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171228785
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine
CID 171313176
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309341
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171229179
3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 170875799
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207356

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride (CID 171209583) is (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1cc(C(F)(F)F)ccc1Cl.Cl.
What is the InChIKey of (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
The InChIKey is ODCFAMZGBRUJMN-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H15ClF3N.ClH/c1-2-3-4-11(17)9-7-8(12(14,15)16)5-6-10(9)13;/h5-7,11H,2-4,17H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride has a molecular weight of 302.17 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 171209583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).