2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride

C19H27Cl2N3O — CID 119835445

IUPAC2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(C)Cc1ccccc1CNC(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-22(2)14-17-11-7-6-10-16(17)13-21-19(23)18(20)12-15-8-4-3-5-9-15;;/h3-11,18H,12-14,20H2,1-2H3,(H,21,23);2*1H
InChIKeyMIUNQFZVTQQDER-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.78
Rot. Bonds7

About 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119835445) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119835445
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC Name2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(C)Cc1ccccc1CNC(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-22(2)14-17-11-7-6-10-16(17)13-21-19(23)18(20)12-15-8-4-3-5-9-15;;/h3-11,18H,12-14,20H2,1-2H3,(H,21,23);2*1H
InChIKeyMIUNQFZVTQQDER-UHFFFAOYSA-N
XLogP2.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103813347
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CID 24706399
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
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2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
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CID 21308260
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937015
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
CID 119828732
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
(2R)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide
CID 78919866

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride (CID 119835445) is 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride is CN(C)Cc1ccccc1CNC(=O)C(N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is MIUNQFZVTQQDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c1-22(2)14-17-11-7-6-10-16(17)13-21-19(23)18(20)12-15-8-4-3-5-9-15;;/h3-11,18H,12-14,20H2,1-2H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119835445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).