3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol

C18H21F3N2O — CID 24809784

IUPAC3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1ccccc1)(CNCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H21F3N2O/c19-18(20,21)17(24,13-22-11-15-7-3-1-4-8-15)14-23-12-16-9-5-2-6-10-16/h1-10,22-24H,11-14H2
InChIKeyYSGCFBYPDDCQMS-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.86
Rot. Bonds8

About 3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol

3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 24809784) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
PubChem CID24809784
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1ccccc1)(CNCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H21F3N2O/c19-18(20,21)17(24,13-22-11-15-7-3-1-4-8-15)14-23-12-16-9-5-2-6-10-16/h1-10,22-24H,11-14H2
InChIKeyYSGCFBYPDDCQMS-UHFFFAOYSA-N
XLogP2.86
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 165448439
(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 1470738
1-(benzylamino)-2-methylbut-3-en-2-ol
CID 11263990
5-amino-N-[2-[(benzylamino)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide;ethane
CID 91273770
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
N-benzyl-2-(trifluoromethyl)prop-2-en-1-amine
CID 162538544
3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide
CID 67109526
N-benzyl-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine
CID 75529792
1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847859
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
(2R,3S)-2-[(benzylamino)methyl]-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylbutan-2-ol
CID 102439597

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol (CID 24809784) is 3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol is OC(CNCc1ccccc1)(CNCc1ccccc1)C(F)(F)F.
What is the InChIKey of 3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YSGCFBYPDDCQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c19-18(20,21)17(24,13-22-11-15-7-3-1-4-8-15)14-23-12-16-9-5-2-6-10-16/h1-10,22-24H,11-14H2.
What are the key properties of 3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol?
3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 338.37 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 24809784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).