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

C11H17ClN2O — CID 115131658

IUPAC2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
SMILESCOc1ccc(NC(C)(C)CN)c(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-11(2,7-13)14-10-5-4-8(15-3)6-9(10)12/h4-6,14H,7,13H2,1-3H3
InChIKeyOYZSWEUHQNVEMD-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.50
Rot. Bonds4

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

2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine (PubChem CID 115131658) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
PubChem CID115131658
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
SMILESCOc1ccc(NC(C)(C)CN)c(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-11(2,7-13)14-10-5-4-8(15-3)6-9(10)12/h4-6,14H,7,13H2,1-3H3
InChIKeyOYZSWEUHQNVEMD-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.50
H-Bond Donors ≤ 52
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

(2-chloro-4-methoxyphenyl)hydrazine;hydrochloride
CID 132585199
N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
CID 115212369
2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline
CID 130877520
2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide
CID 96680450
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131795
4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65305189
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
3-[(2-chloro-4-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanamide
CID 86862773
methyl 4-(2-chloro-4-methoxyanilino)butanoate
CID 115233297
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
CID 115877187

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine (CID 115131658) is 2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine is COc1ccc(NC(C)(C)CN)c(Cl)c1.
What is the InChIKey of 2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is OYZSWEUHQNVEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-11(2,7-13)14-10-5-4-8(15-3)6-9(10)12/h4-6,14H,7,13H2,1-3H3.
What are the key properties of 2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine?
2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 228.72 g/mol, XLogP of 2.50, 4 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)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115131658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).