2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine

C13H21ClN2 — CID 119929106

IUPAC2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)NCc1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-10(2)13(3,9-15)16-8-11-6-4-5-7-12(11)14/h4-7,10,16H,8-9,15H2,1-3H3
InChIKeyRGZJZLAJHGNDNK-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.80
Rot. Bonds5

About 2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine

2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine (PubChem CID 119929106) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine
PubChem CID119929106
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)NCc1ccccc1Cl
InChIInChI=1S/C13H21ClN2/c1-10(2)13(3,9-15)16-8-11-6-4-5-7-12(11)14/h4-7,10,16H,8-9,15H2,1-3H3
InChIKeyRGZJZLAJHGNDNK-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 113267779
2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine
CID 119929198
2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 120966503
2,3-dimethyl-2-N-(quinolin-2-ylmethyl)butane-1,2-diamine;dihydrochloride
CID 119929201
[2-[(2-chlorophenyl)methylamino]-2-methylpropyl] acetate
CID 82533049
2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
CID 119929132
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119607296
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962
3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 81489482
2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride
CID 120966482
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027142

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine (CID 119929106) is 2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine is CC(C)C(C)(CN)NCc1ccccc1Cl.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine?
The InChIKey is RGZJZLAJHGNDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-10(2)13(3,9-15)16-8-11-6-4-5-7-12(11)14/h4-7,10,16H,8-9,15H2,1-3H3.
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine?
2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 119929106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).