1,1,2-triphenylethanamine;hydrobromide

C20H20BrN — CID 175347021

IUPAC1,1,2-triphenylethanamine;hydrobromide
SMILESBr.NC(Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N.BrH/c21-20(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17;/h1-15H,16,21H2;1H
InChIKeyHLNNIXUSSIBLGY-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.71
Rot. Bonds4

About 1,1,2-triphenylethanamine;hydrobromide

1,1,2-triphenylethanamine;hydrobromide (PubChem CID 175347021) has the molecular formula C20H20BrN and a molecular weight of 354.29 g/mol. Its IUPAC name is 1,1,2-triphenylethanamine;hydrobromide.

Molecular Properties

Compound Name1,1,2-triphenylethanamine;hydrobromide
PubChem CID175347021
Molecular FormulaC20H20BrN
Molecular Weight354.29 g/mol
Exact Mass353.08
IUPAC Name1,1,2-triphenylethanamine;hydrobromide
SMILESBr.NC(Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N.BrH/c21-20(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17;/h1-15H,16,21H2;1H
InChIKeyHLNNIXUSSIBLGY-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-1,2-diphenylethanamine
CID 131741516
1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride
CID 131741515
1,1-diphenylethane-1,2-diamine;platinum
CID 174501053
1,4-bis(2,2,2-triphenylethyl)benzene
CID 3555789
1,1-diphenylethane-1,2-diamine;hydrochloride
CID 139989781
1,1,1,2-tetrafluoro-3-phenylpropan-2-amine
CID 174465813
1,2,3-triphenylpropan-2-ylazanium chloride
CID 21496963
2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine
CID 174524490
2-amino-1-phenylbutane-2,3-diol
CID 175388454
1-[3-(2-amino-2-phenylpropyl)phenyl]-2-phenylpropan-2-amine
CID 175440072
4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline
CID 23349378
3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine
CID 43829549

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triphenylethanamine;hydrobromide?
The IUPAC name of 1,1,2-triphenylethanamine;hydrobromide (CID 175347021) is 1,1,2-triphenylethanamine;hydrobromide.
What is the SMILES notation for 1,1,2-triphenylethanamine;hydrobromide?
The canonical SMILES for 1,1,2-triphenylethanamine;hydrobromide is Br.NC(Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,2-triphenylethanamine;hydrobromide?
The InChIKey is HLNNIXUSSIBLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N.BrH/c21-20(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17;/h1-15H,16,21H2;1H.
What are the key properties of 1,1,2-triphenylethanamine;hydrobromide?
1,1,2-triphenylethanamine;hydrobromide has a molecular weight of 354.29 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triphenylethanamine;hydrobromide is sourced from PubChem (CID 175347021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).