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

C12H15ClF3N — CID 171209582

IUPAC(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCCC[C@@H](N)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H15ClF3N/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/t11-/m1/s1
InChIKeyCVAMTTWGPRQXMS-LLVKDONJSA-N
MW265.71 g/mol
LogP4.55
Rot. Bonds4

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

(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine (PubChem CID 171209582) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine
PubChem CID171209582
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCCC[C@@H](N)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H15ClF3N/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/t11-/m1/s1
InChIKeyCVAMTTWGPRQXMS-LLVKDONJSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171209583
(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-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine
CID 171313176
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171229179
(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171228785
3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 170875799
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309341
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine?
The IUPAC name of (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine (CID 171209582) is (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine.
What is the SMILES notation for (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine?
The canonical SMILES for (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine is CCCC[C@@H](N)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine?
The InChIKey is CVAMTTWGPRQXMS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15ClF3N/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/t11-/m1/s1.
What are the key properties of (1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine?
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine has a molecular weight of 265.71 g/mol, XLogP of 4.55, 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 is sourced from PubChem (CID 171209582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).