N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride

C19H28Cl2N2O — CID 17208220

IUPACN,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride
SMILESCCN(CC)c1ccc(CNCc2ccccc2OC)cc1.Cl.Cl
InChIInChI=1S/C19H26N2O.2ClH/c1-4-21(5-2)18-12-10-16(11-13-18)14-20-15-17-8-6-7-9-19(17)22-3;;/h6-13,20H,4-5,14-15H2,1-3H3;2*1H
InChIKeyVDWKSHVWTMKMCJ-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.67
Rot. Bonds8

About N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride

N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride (PubChem CID 17208220) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride
PubChem CID17208220
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC NameN,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride
SMILESCCN(CC)c1ccc(CNCc2ccccc2OC)cc1.Cl.Cl
InChIInChI=1S/C19H26N2O.2ClH/c1-4-21(5-2)18-12-10-16(11-13-18)14-20-15-17-8-6-7-9-19(17)22-3;;/h6-13,20H,4-5,14-15H2,1-3H3;2*1H
InChIKeyVDWKSHVWTMKMCJ-UHFFFAOYSA-N
XLogP4.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol
CID 115603020
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79979679
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207419
N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208300
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
CID 834543

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride?
The IUPAC name of N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride (CID 17208220) is N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride.
What is the SMILES notation for N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride?
The canonical SMILES for N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride is CCN(CC)c1ccc(CNCc2ccccc2OC)cc1.Cl.Cl.
What is the InChIKey of N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride?
The InChIKey is VDWKSHVWTMKMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.2ClH/c1-4-21(5-2)18-12-10-16(11-13-18)14-20-15-17-8-6-7-9-19(17)22-3;;/h6-13,20H,4-5,14-15H2,1-3H3;2*1H.
What are the key properties of N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride?
N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride has a molecular weight of 371.35 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride is sourced from PubChem (CID 17208220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).