2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol

C11H14F3NO — CID 43499702

IUPAC2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESCC(CO)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-8(7-16)15-6-9-2-4-10(5-3-9)11(12,13)14/h2-5,8,15-16H,6-7H2,1H3
InChIKeyKLNVSYKVCGFJOF-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.18
Rot. Bonds4

About 2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol

2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol (PubChem CID 43499702) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
PubChem CID43499702
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESCC(CO)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-8(7-16)15-6-9-2-4-10(5-3-9)11(12,13)14/h2-5,8,15-16H,6-7H2,1H3
InChIKeyKLNVSYKVCGFJOF-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 103776427
2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 65315346
4-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 83188266
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine
CID 61468668
1-bromo-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009971
(2R)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 93056728
tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 103389858
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
CID 114985652
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol
CID 165446376

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol (CID 43499702) is 2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol is CC(CO)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The InChIKey is KLNVSYKVCGFJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(7-16)15-6-9-2-4-10(5-3-9)11(12,13)14/h2-5,8,15-16H,6-7H2,1H3.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 43499702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).