N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

C21H29N3O — CID 120913004

IUPACN'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H29N3O/c22-11-13-23(12-10-19-6-2-1-3-7-19)18-20-8-4-5-9-21(20)24-14-16-25-17-15-24/h1-9H,10-18,22H2
InChIKeyNWYGMVRLKASFPQ-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.53
Rot. Bonds8

About N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120913004) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120913004
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H29N3O/c22-11-13-23(12-10-19-6-2-1-3-7-19)18-20-8-4-5-9-21(20)24-14-16-25-17-15-24/h1-9H,10-18,22H2
InChIKeyNWYGMVRLKASFPQ-UHFFFAOYSA-N
XLogP2.53
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)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

2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119836433
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 120938284
[3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane
CID 143170053
2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide
CID 175252354
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 107367226
2-methyl-1-(2-morpholin-4-ylphenyl)propan-2-amine
CID 82620484
N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872144
N'-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912525
4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
2-(4-morpholin-4-yl-3-pyridinyl)ethanamine
CID 83883289

Frequently Asked Questions

What is the IUPAC name of N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120913004) is N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is NCCN(CCc1ccccc1)Cc1ccccc1N1CCOCC1.
What is the InChIKey of N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is NWYGMVRLKASFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c22-11-13-23(12-10-19-6-2-1-3-7-19)18-20-8-4-5-9-21(20)24-14-16-25-17-15-24/h1-9H,10-18,22H2.
What are the key properties of N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 339.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120913004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).