2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine

C13H21ClN2O — CID 103226414

IUPAC2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCOCC(CN)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C13H21ClN2O/c1-10(11-5-4-6-12(14)7-11)16(2)13(8-15)9-17-3/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyRDBLFHIVNNNLDJ-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.31
Rot. Bonds6

About 2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine

2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine (PubChem CID 103226414) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
PubChem CID103226414
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCOCC(CN)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C13H21ClN2O/c1-10(11-5-4-6-12(14)7-11)16(2)13(8-15)9-17-3/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyRDBLFHIVNNNLDJ-UHFFFAOYSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-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-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 62979844
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
CID 66428887
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
1-(4-bromo-5-methylthiophen-2-yl)-N-[1-(3-chlorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 102839141
(1R)-1-(3-chlorophenyl)-2-methoxyethanethiol
CID 144850703
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835310
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide
CID 55140663
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492270
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylcyclobutan-1-amine
CID 79520737

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine (CID 103226414) is 2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine is COCC(CN)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of 2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine?
The InChIKey is RDBLFHIVNNNLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-10(11-5-4-6-12(14)7-11)16(2)13(8-15)9-17-3/h4-7,10,13H,8-9,15H2,1-3H3.
What are the key properties of 2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine?
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103226414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).