(1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine

C22H33N3O3 — CID 58229067

IUPAC(1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOCCN(CCOC)c1ccc([C@H](N)CNCc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H33N3O3/c1-26-14-12-25(13-15-27-2)20-8-6-19(7-9-20)22(23)17-24-16-18-4-10-21(28-3)11-5-18/h4-11,22,24H,12-17,23H2,1-3H3/t22-/m1/s1
InChIKeyHEYOBFLQNBFFEU-JOCHJYFZSA-N
MW387.52 g/mol
LogP2.58
Rot. Bonds13

About (1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine

(1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 58229067) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is (1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID58229067
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name(1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOCCN(CCOC)c1ccc([C@H](N)CNCc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H33N3O3/c1-26-14-12-25(13-15-27-2)20-8-6-19(7-9-20)22(23)17-24-16-18-4-10-21(28-3)11-5-18/h4-11,22,24H,12-17,23H2,1-3H3/t22-/m1/s1
InChIKeyHEYOBFLQNBFFEU-JOCHJYFZSA-N
XLogP2.58
TPSA68.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine 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

N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63071872
4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
CID 55189419
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
N-[1-[(4-methoxyphenyl)methylamino]propan-2-yl]-N-methylhydroxylamine
CID 10609197
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
N-ethyl-N-(2-methoxyethyl)-4-(4-methoxyphenoxy)aniline
CID 134547003
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N,N-diethyl-4-[[2-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 4719727
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987087
4-methoxy-N,N-bis(methoxymethyl)aniline
CID 89468483

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of (1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine (CID 58229067) is (1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for (1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine is COCCN(CCOC)c1ccc([C@H](N)CNCc2ccc(OC)cc2)cc1.
What is the InChIKey of (1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is HEYOBFLQNBFFEU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-26-14-12-25(13-15-27-2)20-8-6-19(7-9-20)22(23)17-24-16-18-4-10-21(28-3)11-5-18/h4-11,22,24H,12-17,23H2,1-3H3/t22-/m1/s1.
What are the key properties of (1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
(1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 387.52 g/mol, XLogP of 2.58, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 58229067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).