N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine

C17H19Cl2N — CID 63451747

IUPACN-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(CNCc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-17(2,14-8-4-3-5-9-14)12-20-11-13-7-6-10-15(18)16(13)19/h3-10,20H,11-12H2,1-2H3
InChIKeyQTXLIJUTQQIYMH-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.06
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine

N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine (PubChem CID 63451747) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
PubChem CID63451747
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
SMILESCC(C)(CNCc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-17(2,14-8-4-3-5-9-14)12-20-11-13-7-6-10-15(18)16(13)19/h3-10,20H,11-12H2,1-2H3
InChIKeyQTXLIJUTQQIYMH-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(2-methyl-2-phenylpropyl)amino]methyl]benzene-1,2-diol
CID 61318092
N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 55193502
N-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63452100
4-[[(2-methyl-2-phenylpropyl)amino]methyl]benzene-1,2,3-triol
CID 103953167
1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468634
N-[(2,3-dichlorophenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17293607
1,2-dichloro-3-(2,2-dichloro-2-phenylethyl)benzene
CID 99118733
1-(2,3-dichlorophenyl)-2-phenylpropan-2-amine
CID 107307722
2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
CID 2768826
3-amino-1-(2,3-dichlorophenyl)-3-phenylbutan-2-one
CID 107311328
2-[(2-methyl-2-phenylpropyl)amino]ethanethiol
CID 115224453
4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol
CID 63324952

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine (CID 63451747) is N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine is CC(C)(CNCc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
The InChIKey is QTXLIJUTQQIYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-17(2,14-8-4-3-5-9-14)12-20-11-13-7-6-10-15(18)16(13)19/h3-10,20H,11-12H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine?
N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 63451747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).