3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine

C18H24N2 — CID 115126067

IUPAC3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccc(C(C)C)cc1CNc1c(C)cccc1N
InChIInChI=1S/C18H24N2/c1-12(2)15-9-8-13(3)16(10-15)11-20-18-14(4)6-5-7-17(18)19/h5-10,12,20H,11,19H2,1-4H3
InChIKeyLPBFXJRRQXIGFI-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.62
Rot. Bonds4

About 3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine

3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine (PubChem CID 115126067) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine
PubChem CID115126067
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccc(C(C)C)cc1CNc1c(C)cccc1N
InChIInChI=1S/C18H24N2/c1-12(2)15-9-8-13(3)16(10-15)11-20-18-14(4)6-5-7-17(18)19/h5-10,12,20H,11,19H2,1-4H3
InChIKeyLPBFXJRRQXIGFI-UHFFFAOYSA-N
XLogP4.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611
2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
2-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbenzene-1,2-diamine
CID 113333660
N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115197860
3-methyl-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142598
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206474
3-fluoro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 115125725
3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122127
1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]pentane-1,4-diamine
CID 115203847
1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117292095
3-amino-3-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115154989
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine (CID 115126067) is 3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine is Cc1ccc(C(C)C)cc1CNc1c(C)cccc1N.
What is the InChIKey of 3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is LPBFXJRRQXIGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12(2)15-9-8-13(3)16(10-15)11-20-18-14(4)6-5-7-17(18)19/h5-10,12,20H,11,19H2,1-4H3.
What are the key properties of 3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine?
3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-[(2-methyl-5-propan-2-ylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115126067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).