2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride

C19H27Cl2N3O — CID 119946480

IUPAC2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)c1ccccc1N.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-14(2)22(3)13-16-9-5-4-8-15(16)12-21-19(23)17-10-6-7-11-18(17)20;;/h4-11,14H,12-13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyNRSZOTJOKJRCDC-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.88
Rot. Bonds6

About 2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride

2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride (PubChem CID 119946480) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
PubChem CID119946480
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC Name2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)c1ccccc1N.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-14(2)22(3)13-16-9-5-4-8-15(16)12-21-19(23)17-10-6-7-11-18(17)20;;/h4-11,14H,12-13,20H2,1-3H3,(H,21,23);2*1H
InChIKeyNRSZOTJOKJRCDC-UHFFFAOYSA-N
XLogP3.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55837884
(2S)-2-amino-3,3-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845611
4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564545
2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46474128
3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46470339
2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
CID 119944739
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55694833
2,4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 86986197
2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119946988
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 46455853
2-(methylamino)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-nitrobenzamide
CID 46455730

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride (CID 119946480) is 2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride is CC(C)N(C)Cc1ccccc1CNC(=O)c1ccccc1N.Cl.Cl.
What is the InChIKey of 2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride?
The InChIKey is NRSZOTJOKJRCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c1-14(2)22(3)13-16-9-5-4-8-15(16)12-21-19(23)17-10-6-7-11-18(17)20;;/h4-11,14H,12-13,20H2,1-3H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride?
2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).