1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine

C18H24N2 — CID 166829432

IUPAC1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCc1ccc(CCNCC(N)c2cccc(C)c2)cc1
InChIInChI=1S/C18H24N2/c1-14-6-8-16(9-7-14)10-11-20-13-18(19)17-5-3-4-15(2)12-17/h3-9,12,18,20H,10-11,13,19H2,1-2H3
InChIKeyCAVBKKHNXJNQTH-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.14
Rot. Bonds6

About 1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine

1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 166829432) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
PubChem CID166829432
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCc1ccc(CCNCC(N)c2cccc(C)c2)cc1
InChIInChI=1S/C18H24N2/c1-14-6-8-16(9-7-14)10-11-20-13-18(19)17-5-3-4-15(2)12-17/h3-9,12,18,20H,10-11,13,19H2,1-2H3
InChIKeyCAVBKKHNXJNQTH-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355
2-methyl-N'-[2-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 115198795
2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 103248005
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
CID 21482954
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 115213247
2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine
CID 82003944

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of 1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine (CID 166829432) is 1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine is Cc1ccc(CCNCC(N)c2cccc(C)c2)cc1.
What is the InChIKey of 1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is CAVBKKHNXJNQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-6-8-16(9-7-14)10-11-20-13-18(19)17-5-3-4-15(2)12-17/h3-9,12,18,20H,10-11,13,19H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine?
1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N'-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 166829432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).