2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine

C15H25ClN2 — CID 62411724

IUPAC2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H25ClN2/c1-12(2)9-17-10-13(3)18(4)11-14-7-5-6-8-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyZQKSVTWKFSBMCY-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.41
Rot. Bonds7

About 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 62411724) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID62411724
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H25ClN2/c1-12(2)9-17-10-13(3)18(4)11-14-7-5-6-8-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyZQKSVTWKFSBMCY-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568215
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 62411722
2-N-[(2-chlorophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087963
4-N-[(2-chlorophenyl)methyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412616
(2S)-2-[(2-chlorophenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067547
2-[(2-chlorophenyl)methyl-methylamino]propanenitrile
CID 60646463
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
CID 83148905
2-[(3-chloro-2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 102848138

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine (CID 62411724) is 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine is CC(C)CNCC(C)N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is ZQKSVTWKFSBMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-12(2)9-17-10-13(3)18(4)11-14-7-5-6-8-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3.
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 62411724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).