N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C15H23ClN2O — CID 62557923

IUPACN'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCC1CCCO1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-18(12-13-4-6-14(16)7-5-13)9-8-17-11-15-3-2-10-19-15/h4-7,15,17H,2-3,8-12H2,1H3
InChIKeyLVAMXBUJMRDFCH-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.54
Rot. Bonds7

About N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62557923) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID62557923
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCC1CCCO1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-18(12-13-4-6-14(16)7-5-13)9-8-17-11-15-3-2-10-19-15/h4-7,15,17H,2-3,8-12H2,1H3
InChIKeyLVAMXBUJMRDFCH-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)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'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62557513
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 113219525
1-[(4-chlorophenyl)methyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8786019
N'-methyl-N-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 62561860
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine
CID 66472313
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2223143
N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119683651
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 62557923) is N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CN(CCNCC1CCCO1)Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is LVAMXBUJMRDFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-18(12-13-4-6-14(16)7-5-13)9-8-17-11-15-3-2-10-19-15/h4-7,15,17H,2-3,8-12H2,1H3.
What are the key properties of N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 282.81 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62557923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).