1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine

C18H18N2 — CID 21321128

IUPAC1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine
SMILESCCNc1ccccc1Nc1ccc2ccccc2c1
InChIInChI=1S/C18H18N2/c1-2-19-17-9-5-6-10-18(17)20-16-12-11-14-7-3-4-8-15(14)13-16/h3-13,19-20H,2H2,1H3
InChIKeyZFUOMQSDBJVMKB-UHFFFAOYSA-N
MW262.36 g/mol
LogP5.02
Rot. Bonds4

About 1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine

1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine (PubChem CID 21321128) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine
PubChem CID21321128
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine
SMILESCCNc1ccccc1Nc1ccc2ccccc2c1
InChIInChI=1S/C18H18N2/c1-2-19-17-9-5-6-10-18(17)20-16-12-11-14-7-3-4-8-15(14)13-16/h3-13,19-20H,2H2,1H3
InChIKeyZFUOMQSDBJVMKB-UHFFFAOYSA-N
XLogP5.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.36
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine
CID 121372627
1-ethyl-N-naphthalen-2-ylnaphthalen-2-amine
CID 174325640
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
N-(2-heptylphenyl)naphthalen-2-amine
CID 54314273
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
N-tert-butylnaphthalen-2-amine
CID 13200783
nonane;N-phenylnaphthalen-2-amine
CID 159912384
N-(2-prop-2-enylphenyl)naphthalen-2-amine
CID 66931436
N-pentacen-2-ylpentacen-2-amine
CID 91227915
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977
2-(naphthalen-2-ylamino)benzamide
CID 70089831
2-(naphthalen-2-ylamino)acetonitrile
CID 43420244

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine (CID 21321128) is 1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine is CCNc1ccccc1Nc1ccc2ccccc2c1.
What is the InChIKey of 1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine?
The InChIKey is ZFUOMQSDBJVMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-19-17-9-5-6-10-18(17)20-16-12-11-14-7-3-4-8-15(14)13-16/h3-13,19-20H,2H2,1H3.
What are the key properties of 1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine?
1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine has a molecular weight of 262.36 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 21321128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).