(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol

C13H18F3NO — CID 113359035

IUPAC(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)CCC(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-12(18)10-6-4-5-7-11(10)17(2)9-8-13(14,15)16/h4-7,12,18H,3,8-9H2,1-2H3/t12-/m1/s1
InChIKeyKBJDBOCDMFOADZ-GFCCVEGCSA-N
MW261.29 g/mol
LogP3.52
Rot. Bonds5

About (1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol

(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol (PubChem CID 113359035) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is (1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
PubChem CID113359035
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)CCC(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-12(18)10-6-4-5-7-11(10)17(2)9-8-13(14,15)16/h4-7,12,18H,3,8-9H2,1-2H3/t12-/m1/s1
InChIKeyKBJDBOCDMFOADZ-GFCCVEGCSA-N
XLogP3.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
(1R)-1-[2-[methyl(2-methylsulfanylethyl)amino]phenyl]propan-1-ol
CID 103960340
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
(1R)-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]propan-1-ol
CID 113358997
(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
CID 78996550
(1R)-1-[2-[(4-fluorophenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959822
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
CID 103959768
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]-N-methylanilino]acetamide
CID 103959904
1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol (CID 113359035) is (1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N(C)CCC(F)(F)F.
What is the InChIKey of (1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol?
The InChIKey is KBJDBOCDMFOADZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-12(18)10-6-4-5-7-11(10)17(2)9-8-13(14,15)16/h4-7,12,18H,3,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol?
(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol has a molecular weight of 261.29 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 113359035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).