1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine

C16H20N2 — CID 87484866

IUPAC1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
SMILESCc1ccc(NC(C)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H20N2/c1-12-4-8-15(9-5-12)17-14(3)18-16-10-6-13(2)7-11-16/h4-11,14,17-18H,1-3H3
InChIKeyGYBZWQPHXVBWDR-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.17
Rot. Bonds4

About 1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine

1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine (PubChem CID 87484866) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
PubChem CID87484866
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
SMILESCc1ccc(NC(C)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H20N2/c1-12-4-8-15(9-5-12)17-14(3)18-16-10-6-13(2)7-11-16/h4-11,14,17-18H,1-3H3
InChIKeyGYBZWQPHXVBWDR-UHFFFAOYSA-N
XLogP4.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxyethyl)-4-methylaniline
CID 174872064
N-(difluoromethyl)-4-methylaniline;ethane
CID 170790266
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43093665
4-(4-methylphenoxy)-N-propan-2-ylaniline
CID 21043850
methylamino-(4-methylanilino)methanol
CID 166978175
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
3-(4-methylanilino)butanethial
CID 18924448
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
diethyl-bis(4-methylanilino)phosphanium
CID 132582432

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine (CID 87484866) is 1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine is Cc1ccc(NC(C)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine?
The InChIKey is GYBZWQPHXVBWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-4-8-15(9-5-12)17-14(3)18-16-10-6-13(2)7-11-16/h4-11,14,17-18H,1-3H3.
What are the key properties of 1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine?
1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine is sourced from PubChem (CID 87484866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).