N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine

C13H21ClN2O — CID 115199799

IUPACN'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCOc1cc(C)c(Cl)cc1NCC(C)(C)CN
InChIInChI=1S/C13H21ClN2O/c1-9-5-12(17-4)11(6-10(9)14)16-8-13(2,3)7-15/h5-6,16H,7-8,15H2,1-4H3
InChIKeyXTEDDTOJGCDVNQ-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.05
Rot. Bonds5

About N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine

N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 115199799) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID115199799
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCOc1cc(C)c(Cl)cc1NCC(C)(C)CN
InChIInChI=1S/C13H21ClN2O/c1-9-5-12(17-4)11(6-10(9)14)16-8-13(2,3)7-15/h5-6,16H,7-8,15H2,1-4H3
InChIKeyXTEDDTOJGCDVNQ-UHFFFAOYSA-N
XLogP3.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135121
N'-(5-chloro-2-methoxy-4-methylphenyl)methanediamine
CID 115225402
N'-(5-chloro-2-methoxy-3-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199813
3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropan-1-ol
CID 81413769
N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199816
3-(4-chloro-2-methoxy-5-methylanilino)-2,2-dimethylpropanoic acid
CID 79628845
5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
CID 82492751
N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178540
N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115200085
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 115157186
3-(4-chloro-2-methoxy-5-methylanilino)-2-methylpropan-1-ol
CID 115871898

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine (CID 115199799) is N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine is COc1cc(C)c(Cl)cc1NCC(C)(C)CN.
What is the InChIKey of N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is XTEDDTOJGCDVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9-5-12(17-4)11(6-10(9)14)16-8-13(2,3)7-15/h5-6,16H,7-8,15H2,1-4H3.
What are the key properties of N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine?
N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 256.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115199799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).