2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine

C19H26N2 — CID 61414435

IUPAC2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1ccc(C(N)C(C)N(C)Cc2cccc(C)c2)cc1
InChIInChI=1S/C19H26N2/c1-14-8-10-18(11-9-14)19(20)16(3)21(4)13-17-7-5-6-15(2)12-17/h5-12,16,19H,13,20H2,1-4H3
InChIKeyZVGVIDWWBRVJHR-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.82
Rot. Bonds5

About 2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine

2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine (PubChem CID 61414435) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
PubChem CID61414435
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1ccc(C(N)C(C)N(C)Cc2cccc(C)c2)cc1
InChIInChI=1S/C19H26N2/c1-14-8-10-18(11-9-14)19(20)16(3)21(4)13-17-7-5-6-15(2)12-17/h5-12,16,19H,13,20H2,1-4H3
InChIKeyZVGVIDWWBRVJHR-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 107519933
1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine
CID 79414588
formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 143158010
2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 79850163
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 104710864
2-N-(2-methoxyethyl)-2-N-methyl-1-(4-methylphenyl)propane-1,2-diamine
CID 61426974
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105346309
3,3,3-trifluoro-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61413979
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
1-(4-fluoro-3-methylphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62121136
4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 116501648
N'-hydroxy-3-[methyl-[(3-methylphenyl)methyl]amino]butanimidamide
CID 61413856

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine (CID 61414435) is 2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine is Cc1ccc(C(N)C(C)N(C)Cc2cccc(C)c2)cc1.
What is the InChIKey of 2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
The InChIKey is ZVGVIDWWBRVJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14-8-10-18(11-9-14)19(20)16(3)21(4)13-17-7-5-6-15(2)12-17/h5-12,16,19H,13,20H2,1-4H3.
What are the key properties of 2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 61414435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).