2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

C13H21ClN2O — CID 115132718

IUPAC2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCc1ccc(OC)cc1Cl
InChIInChI=1S/C13H21ClN2O/c1-13(2,9-15-3)16-8-10-5-6-11(17-4)7-12(10)14/h5-7,15-16H,8-9H2,1-4H3
InChIKeyYNLLEDXSIWCVIG-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.44
Rot. Bonds6

About 2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115132718) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115132718
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCc1ccc(OC)cc1Cl
InChIInChI=1S/C13H21ClN2O/c1-13(2,9-15-3)16-8-10-5-6-11(17-4)7-12(10)14/h5-7,15-16H,8-9H2,1-4H3
InChIKeyYNLLEDXSIWCVIG-UHFFFAOYSA-N
XLogP2.44
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 65306448
N-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257878
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132726
3-[(2-chloro-4-methoxyphenyl)methylamino]propane-1-thiol
CID 115224893
N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 115167187
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol
CID 115216842
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115132718) is 2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is CNCC(C)(C)NCc1ccc(OC)cc1Cl.
What is the InChIKey of 2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is YNLLEDXSIWCVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-13(2,9-15-3)16-8-10-5-6-11(17-4)7-12(10)14/h5-7,15-16H,8-9H2,1-4H3.
What are the key properties of 2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chloro-4-methoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115132718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).