[2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol

C12H14F3NO — CID 11615698

IUPAC[2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)ccc1NCC1CC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-4-11(9(5-10)7-17)16-6-8-1-2-8/h3-5,8,16-17H,1-2,6-7H2
InChIKeyVYAKXNGQDQBGBG-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.02
Rot. Bonds4

About [2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol

[2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol (PubChem CID 11615698) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is [2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol
PubChem CID11615698
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name[2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)ccc1NCC1CC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-4-11(9(5-10)7-17)16-6-8-1-2-8/h3-5,8,16-17H,1-2,6-7H2
InChIKeyVYAKXNGQDQBGBG-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol (CID 11615698) is [2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol is OCc1cc(C(F)(F)F)ccc1NCC1CC1.
What is the InChIKey of [2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is VYAKXNGQDQBGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-3-4-11(9(5-10)7-17)16-6-8-1-2-8/h3-5,8,16-17H,1-2,6-7H2.
What are the key properties of [2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol?
[2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 245.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethylamino)-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 11615698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).