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

C12H19ClN2O — CID 115131795

IUPAC2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(N(C)C(C)(C)CN)c(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-12(2,8-14)15(3)11-6-5-9(16-4)7-10(11)13/h5-7H,8,14H2,1-4H3
InChIKeyDBQAVHBWLFQYAV-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.52
Rot. Bonds4

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

2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115131795) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115131795
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(N(C)C(C)(C)CN)c(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-12(2,8-14)15(3)11-6-5-9(16-4)7-10(11)13/h5-7H,8,14H2,1-4H3
InChIKeyDBQAVHBWLFQYAV-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-N-(2-chloro-4-methoxyphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119564
2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115596113
2-chloro-N-ethyl-4-methoxy-N-methylaniline
CID 115259322
2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline
CID 115258388
4-amino-1-(2-chloro-4-methoxy-N-methylanilino)butan-2-ol
CID 117039121
2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 115131658
2-chloro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine
CID 63981395
4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65305189
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133466
5-[(2-chloro-4-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine
CID 117038673
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63982369

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 115131795) is 2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is COc1ccc(N(C)C(C)(C)CN)c(Cl)c1.
What is the InChIKey of 2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is DBQAVHBWLFQYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-12(2,8-14)15(3)11-6-5-9(16-4)7-10(11)13/h5-7H,8,14H2,1-4H3.
What are the key properties of 2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115131795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).