2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride

C18H25Cl2N3O — CID 119836132

IUPAC2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride
SMILESCN(C)CC(NC(=O)Cc1ccc(N)cc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-21(2)13-17(15-6-4-3-5-7-15)20-18(22)12-14-8-10-16(19)11-9-14;;/h3-11,17H,12-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyFGTJMRMQPZNXHF-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.07
Rot. Bonds6

About 2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride (PubChem CID 119836132) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride
PubChem CID119836132
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride
SMILESCN(C)CC(NC(=O)Cc1ccc(N)cc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-21(2)13-17(15-6-4-3-5-7-15)20-18(22)12-14-8-10-16(19)11-9-14;;/h3-11,17H,12-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyFGTJMRMQPZNXHF-UHFFFAOYSA-N
XLogP3.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184600
2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731
2-[4-(aminomethyl)phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107861946
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520
5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
CID 82851272
phenyl N-[2-(dimethylamino)-1-phenylethyl]carbamate
CID 60676334
5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 8936906
2-(4-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945145
N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide
CID 86929497
N-[2-(dimethylamino)-1-phenylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958162
2-(4-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936319
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride (CID 119836132) is 2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride is CN(C)CC(NC(=O)Cc1ccc(N)cc1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride?
The InChIKey is FGTJMRMQPZNXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-21(2)13-17(15-6-4-3-5-7-15)20-18(22)12-14-8-10-16(19)11-9-14;;/h3-11,17H,12-13,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119836132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).