ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine

C26H34N2 — CID 144714082

IUPACethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine
SMILESCC.CCC(c1ccccc1Nc1ccccc1Nc1ccccc1)C(C)C
InChIInChI=1S/C24H28N2.C2H6/c1-4-20(18(2)3)21-14-8-9-15-22(21)26-24-17-11-10-16-23(24)25-19-12-6-5-7-13-19;1-2/h5-18,20,25-26H,4H2,1-3H3;1-2H3
InChIKeyFUIJSKMMIYBWKD-UHFFFAOYSA-N
MW374.57 g/mol
LogP8.35
Rot. Bonds7

About ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine

ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine (PubChem CID 144714082) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Nameethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine
PubChem CID144714082
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Nameethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine
SMILESCC.CCC(c1ccccc1Nc1ccccc1Nc1ccccc1)C(C)C
InChIInChI=1S/C24H28N2.C2H6/c1-4-20(18(2)3)21-14-8-9-15-22(21)26-24-17-11-10-16-23(24)25-19-12-6-5-7-13-19;1-2/h5-18,20,25-26H,4H2,1-3H3;1-2H3
InChIKeyFUIJSKMMIYBWKD-UHFFFAOYSA-N
XLogP8.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 58.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine
CID 144714083
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
N-phenyl-2-(1-phenylethyl)aniline
CID 59839557
2,4-bis(2-anilinophenyl)pentan-3-one
CID 150203420
2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine
CID 95479757
1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol
CID 170820856
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589
N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 15175680
2-(2-methylpentan-3-yl)benzoyl chloride
CID 54322055
N-[2-(1-aminoethyl)phenyl]pyridin-4-amine
CID 63761448
(4-bromo-5-methylhexan-3-yl)benzene
CID 79298678
3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
CID 43132792

Frequently Asked Questions

What is the IUPAC name of ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine?
The IUPAC name of ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine (CID 144714082) is ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine?
The canonical SMILES for ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine is CC.CCC(c1ccccc1Nc1ccccc1Nc1ccccc1)C(C)C.
What is the InChIKey of ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine?
The InChIKey is FUIJSKMMIYBWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2.C2H6/c1-4-20(18(2)3)21-14-8-9-15-22(21)26-24-17-11-10-16-23(24)25-19-12-6-5-7-13-19;1-2/h5-18,20,25-26H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine?
ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine has a molecular weight of 374.57 g/mol, XLogP of 8.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 144714082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).