3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine

C13H22N2 — CID 106345275

IUPAC3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
SMILESCc1cccc(CNC(CN)C(C)C)c1
InChIInChI=1S/C13H22N2/c1-10(2)13(8-14)15-9-12-6-4-5-11(3)7-12/h4-7,10,13,15H,8-9,14H2,1-3H3
InChIKeyRYXYZIIJCFJFQI-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.07
Rot. Bonds5

About 3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine

3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine (PubChem CID 106345275) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
PubChem CID106345275
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
SMILESCc1cccc(CNC(CN)C(C)C)c1
InChIInChI=1S/C13H22N2/c1-10(2)13(8-14)15-9-12-6-4-5-11(3)7-12/h4-7,10,13,15H,8-9,14H2,1-3H3
InChIKeyRYXYZIIJCFJFQI-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
N"-[(3-methylphenyl)methyl]methanetriamine
CID 144552123
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
3-methyl-2-N-[(5-methylfuran-3-yl)methyl]butane-1,2-diamine
CID 106345441
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide
CID 53314010
1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43225746
2-N-[(3,5-difluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345506
(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 97051534
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine (CID 106345275) is 3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine is Cc1cccc(CNC(CN)C(C)C)c1.
What is the InChIKey of 3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The InChIKey is RYXYZIIJCFJFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)13(8-14)15-9-12-6-4-5-11(3)7-12/h4-7,10,13,15H,8-9,14H2,1-3H3.
What are the key properties of 3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 106345275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).