(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride

C16H17ClF3NO — CID 171211177

IUPAC(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H16F3NO.ClH/c17-16(18,19)10-15(20)13-6-8-14(9-7-13)21-11-12-4-2-1-3-5-12;/h1-9,15H,10-11,20H2;1H/t15-;/m1./s1
InChIKeyXELGRXATQNLFLG-XFULWGLBSA-N
MW331.77 g/mol
LogP4.64
Rot. Bonds5

About (1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride

(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171211177) has the molecular formula C16H17ClF3NO and a molecular weight of 331.77 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171211177
Molecular FormulaC16H17ClF3NO
Molecular Weight331.77 g/mol
Exact Mass331.10
IUPAC Name(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H16F3NO.ClH/c17-16(18,19)10-15(20)13-6-8-14(9-7-13)21-11-12-4-2-1-3-5-12;/h1-9,15H,10-11,20H2;1H/t15-;/m1./s1
InChIKeyXELGRXATQNLFLG-XFULWGLBSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230781
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780
(1S)-3,3-difluoro-1-(4-phenylmethoxyphenyl)propan-1-amine
CID 171313225
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211160
1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 43197123
(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 171243439
(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171230778
2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
CID 56614966
1-(4-phenylmethoxyphenyl)but-3-en-1-amine
CID 10944951
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride (CID 171211177) is (1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride is Cl.N[C@H](CC(F)(F)F)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is XELGRXATQNLFLG-XFULWGLBSA-N. The full InChI is InChI=1S/C16H16F3NO.ClH/c17-16(18,19)10-15(20)13-6-8-14(9-7-13)21-11-12-4-2-1-3-5-12;/h1-9,15H,10-11,20H2;1H/t15-;/m1./s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride?
(1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 331.77 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171211177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).