1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine

C22H24N2 — CID 102345817

IUPAC1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1ccccc1CNc1ccc(NCc2ccccc2C)cc1
InChIInChI=1S/C22H24N2/c1-17-7-3-5-9-19(17)15-23-21-11-13-22(14-12-21)24-16-20-10-6-4-8-18(20)2/h3-14,23-24H,15-16H2,1-2H3
InChIKeyFEMYAFKBASOVRB-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.53
Rot. Bonds6

About 1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine

1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine (PubChem CID 102345817) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
PubChem CID102345817
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1ccccc1CNc1ccc(NCc2ccccc2C)cc1
InChIInChI=1S/C22H24N2/c1-17-7-3-5-9-19(17)15-23-21-11-13-22(14-12-21)24-16-20-10-6-4-8-18(20)2/h3-14,23-24H,15-16H2,1-2H3
InChIKeyFEMYAFKBASOVRB-UHFFFAOYSA-N
XLogP5.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
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2-(2-fluorophenyl)-N-[4-[(2-methylphenyl)methylamino]phenyl]acetamide
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4-hexoxy-N-[(2-methylphenyl)methyl]aniline
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CID 83960875
3-[(2-methylphenyl)methylamino]phenol
CID 28722272
3-chloro-N-[(2-methylphenyl)methyl]aniline
CID 28513469
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009
N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide
CID 112982043
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CID 115748884

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine (CID 102345817) is 1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine is Cc1ccccc1CNc1ccc(NCc2ccccc2C)cc1.
What is the InChIKey of 1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is FEMYAFKBASOVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-17-7-3-5-9-19(17)15-23-21-11-13-22(14-12-21)24-16-20-10-6-4-8-18(20)2/h3-14,23-24H,15-16H2,1-2H3.
What are the key properties of 1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine?
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 316.45 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 102345817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).