2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

C14H24N2 — CID 82946054

IUPAC2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCc1ccc(CNC(C)CN(C)C)c(C)c1
InChIInChI=1S/C14H24N2/c1-11-6-7-14(12(2)8-11)9-15-13(3)10-16(4)5/h6-8,13,15H,9-10H2,1-5H3
InChIKeyJYXMVNJYWNGBNE-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.34
Rot. Bonds5

About 2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82946054) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82946054
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCc1ccc(CNC(C)CN(C)C)c(C)c1
InChIInChI=1S/C14H24N2/c1-11-6-7-14(12(2)8-11)9-15-13(3)10-16(4)5/h6-8,13,15H,9-10H2,1-5H3
InChIKeyJYXMVNJYWNGBNE-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953665
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine
CID 43080523
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
3-[(2,4-dimethylphenyl)methylamino]butanamide
CID 115676436
(2S)-N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084805
N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 21355535
1-N,1-N-diethyl-2-N-[(2-fluoro-4-methylphenyl)methyl]propane-1,2-diamine
CID 113408528
2-N-[(3,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945359
1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 82939347
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-1-amine
CID 60597635

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82946054) is 2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is Cc1ccc(CNC(C)CN(C)C)c(C)c1.
What is the InChIKey of 2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is JYXMVNJYWNGBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-6-7-14(12(2)8-11)9-15-13(3)10-16(4)5/h6-8,13,15H,9-10H2,1-5H3.
What are the key properties of 2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82946054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).