ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline

C30H41N — CID 145203938

IUPACethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline
SMILESCC.CCCCC(CC)CCc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H35N.C2H6/c1-4-6-10-24(5-2)15-16-25-17-21-28(22-18-25)29(26-11-8-7-9-12-26)27-19-13-23(3)14-20-27;1-2/h7-9,11-14,17-22,24H,4-6,10,15-16H2,1-3H3;1-2H3
InChIKeyFKOFEXJNEZRLTO-UHFFFAOYSA-N
MW415.67 g/mol
LogP9.64
Rot. Bonds10

About ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline

ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline (PubChem CID 145203938) has the molecular formula C30H41N and a molecular weight of 415.67 g/mol. Its IUPAC name is ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline.

Molecular Properties

Compound Nameethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline
PubChem CID145203938
Molecular FormulaC30H41N
Molecular Weight415.67 g/mol
Exact Mass415.32
IUPAC Nameethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline
SMILESCC.CCCCC(CC)CCc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H35N.C2H6/c1-4-6-10-24(5-2)15-16-25-17-21-28(22-18-25)29(26-11-8-7-9-12-26)27-19-13-23(3)14-20-27;1-2/h7-9,11-14,17-22,24H,4-6,10,15-16H2,1-3H3;1-2H3
InChIKeyFKOFEXJNEZRLTO-UHFFFAOYSA-N
XLogP9.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.67
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Leucocrystal Violet
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Gentian violet cation
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Basic Violet 4
CID 16955
N-Ethyl-N-benzylaniline
CID 7098
4,4'-Dioctyldiphenylamine
CID 7569
Malachite green cation
CID 11295
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
4-Dimethylaminostilbene
CID 640024
N,N,N',N'-Tetramethylbenzidine
CID 9702

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline?
The IUPAC name of ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline (CID 145203938) is ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline.
What is the SMILES notation for ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline?
The canonical SMILES for ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline is CC.CCCCC(CC)CCc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline?
The InChIKey is FKOFEXJNEZRLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N.C2H6/c1-4-6-10-24(5-2)15-16-25-17-21-28(22-18-25)29(26-11-8-7-9-12-26)27-19-13-23(3)14-20-27;1-2/h7-9,11-14,17-22,24H,4-6,10,15-16H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline?
ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline has a molecular weight of 415.67 g/mol, XLogP of 9.64, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline is sourced from PubChem (CID 145203938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).