2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol

C19H21F3N2O — CID 175762694

IUPAC2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol
SMILESC#CCN(CCN1C=CC=C(O)C1C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O/c1-3-9-23(11-12-24-10-5-8-18(25)15(24)2)14-16-6-4-7-17(13-16)19(20,21)22/h1,4-8,10,13,15,25H,9,11-12,14H2,2H3
InChIKeyODAPWBUHUVSWHM-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.80
Rot. Bonds6

About 2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol

2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol (PubChem CID 175762694) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol.

Molecular Properties

Compound Name2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol
PubChem CID175762694
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol
SMILESC#CCN(CCN1C=CC=C(O)C1C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O/c1-3-9-23(11-12-24-10-5-8-18(25)15(24)2)14-16-6-4-7-17(13-16)19(20,21)22/h1,4-8,10,13,15,25H,9,11-12,14H2,2H3
InChIKeyODAPWBUHUVSWHM-UHFFFAOYSA-N
XLogP3.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[propyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetonitrile
CID 61224322
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
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N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine
CID 6426222
1-methyl-2-[[prop-2-ynyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2H-pyridin-5-ol
CID 175811108
N'-prop-2-ynyl-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 151849646
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide
CID 52763877
N-(2-bromoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 80666990
4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 154621258
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
1-(prop-2-ynylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116589424
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol?
The IUPAC name of 2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol (CID 175762694) is 2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol.
What is the SMILES notation for 2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol?
The canonical SMILES for 2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol is C#CCN(CCN1C=CC=C(O)C1C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol?
The InChIKey is ODAPWBUHUVSWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-3-9-23(11-12-24-10-5-8-18(25)15(24)2)14-16-6-4-7-17(13-16)19(20,21)22/h1,4-8,10,13,15,25H,9,11-12,14H2,2H3.
What are the key properties of 2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol?
2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol has a molecular weight of 350.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[prop-2-ynyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]-2H-pyridin-3-ol is sourced from PubChem (CID 175762694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).