2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

C13H21ClN2O — CID 103225025

IUPAC2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNCC(COC)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O/c1-15-8-13(10-17-3)16(2)9-11-4-6-12(14)7-5-11/h4-7,13,15H,8-10H2,1-3H3
InChIKeyIEOJXQXTSVXDMA-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.01
Rot. Bonds7

About 2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 103225025) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID103225025
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNCC(COC)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O/c1-15-8-13(10-17-3)16(2)9-11-4-6-12(14)7-5-11/h4-7,13,15H,8-10H2,1-3H3
InChIKeyIEOJXQXTSVXDMA-UHFFFAOYSA-N
XLogP2.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225027
2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225288
2-N-[(4-bromophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225090
2-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225942
3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226082
2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103226030
N-[(4-chlorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62411299
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55069085
1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81102122
5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391759
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478
3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 103225664

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (CID 103225025) is 2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is CNCC(COC)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is IEOJXQXTSVXDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-15-8-13(10-17-3)16(2)9-11-4-6-12(14)7-5-11/h4-7,13,15H,8-10H2,1-3H3.
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103225025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).