(1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride

C14H18ClF6NO — CID 171214642

IUPAC(1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1c(OC)cc(C(F)(F)F)cc1C(F)(F)F.Cl
InChIInChI=1S/C14H17F6NO.ClH/c1-3-4-5-10(21)12-9(14(18,19)20)6-8(13(15,16)17)7-11(12)22-2;/h6-7,10H,3-5,21H2,1-2H3;1H/t10-;/m1./s1
InChIKeyZJSXUTJHPJZDBB-HNCPQSOCSA-N
MW365.75 g/mol
LogP5.34
Rot. Bonds5

About (1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride

(1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride (PubChem CID 171214642) has the molecular formula C14H18ClF6NO and a molecular weight of 365.75 g/mol. Its IUPAC name is (1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
PubChem CID171214642
Molecular FormulaC14H18ClF6NO
Molecular Weight365.75 g/mol
Exact Mass365.10
IUPAC Name(1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1c(OC)cc(C(F)(F)F)cc1C(F)(F)F.Cl
InChIInChI=1S/C14H17F6NO.ClH/c1-3-4-5-10(21)12-9(14(18,19)20)6-8(13(15,16)17)7-11(12)22-2;/h6-7,10H,3-5,21H2,1-2H3;1H/t10-;/m1./s1
InChIKeyZJSXUTJHPJZDBB-HNCPQSOCSA-N
XLogP5.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.75
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine
CID 171234272
(1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171214638
(1R)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171216128
(1S)-3,3,3-trifluoro-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]propan-1-amine
CID 171234280
(1S)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171234263
(S)-cyclopropyl-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171234289
(1R)-1-(2,4,6-trimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171201038
1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]butan-2-amine;hydrochloride
CID 170889521
(S)-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171214666
(1S)-4,4,4-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171235772
(4S)-4-amino-4-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171235804
(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 96710105

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride (CID 171214642) is (1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1c(OC)cc(C(F)(F)F)cc1C(F)(F)F.Cl.
What is the InChIKey of (1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
The InChIKey is ZJSXUTJHPJZDBB-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H17F6NO.ClH/c1-3-4-5-10(21)12-9(14(18,19)20)6-8(13(15,16)17)7-11(12)22-2;/h6-7,10H,3-5,21H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride?
(1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride has a molecular weight of 365.75 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 171214642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).