3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol

C11H12F3NO — CID 130145934

IUPAC3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol
SMILESNC(c1cc(O)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)8-3-7(4-9(16)5-8)10(15)6-1-2-6/h3-6,10,16H,1-2,15H2
InChIKeyBJTRLXCMMQQKCZ-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.82
Rot. Bonds2

About 3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol

3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol (PubChem CID 130145934) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol
PubChem CID130145934
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol
SMILESNC(c1cc(O)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)8-3-7(4-9(16)5-8)10(15)6-1-2-6/h3-6,10,16H,1-2,15H2
InChIKeyBJTRLXCMMQQKCZ-UHFFFAOYSA-N
XLogP2.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
[3,5-bis(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 118086233
(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171208388
(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171227973
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
(R)-cyclopropyl-[5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 124518707
(R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine
CID 171314429
(S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171227976
5-[(R)-amino(oxan-4-yl)methyl]benzene-1,3-diol;hydrochloride
CID 171246230
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351077

Frequently Asked Questions

What is the IUPAC name of 3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol (CID 130145934) is 3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol is NC(c1cc(O)cc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol?
The InChIKey is BJTRLXCMMQQKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)8-3-7(4-9(16)5-8)10(15)6-1-2-6/h3-6,10,16H,1-2,15H2.
What are the key properties of 3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol?
3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol has a molecular weight of 231.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 130145934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).