ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine

C41H64N2 — CID 158921504

IUPACethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine
SMILESC.C.C.CC.CC.CC.CC.Cc1ccc2cccc(Nc3ccccc3)c2c1.Cc1ccccc1Nc1ccccc1
InChIInChI=1S/C17H15N.C13H13N.4C2H6.3CH4/c1-13-10-11-14-6-5-9-17(16(14)12-13)18-15-7-3-2-4-8-15;1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;4*1-2;;;/h2-12,18H,1H3;2-10,14H,1H3;4*1-2H3;3*1H4
InChIKeyJHWVKWLLRQLYSY-UHFFFAOYSA-N
MW584.98 g/mol
LogP14.64
Rot. Bonds4

About ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine

ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine (PubChem CID 158921504) has the molecular formula C41H64N2 and a molecular weight of 584.98 g/mol. Its IUPAC name is ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Nameethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine
PubChem CID158921504
Molecular FormulaC41H64N2
Molecular Weight584.98 g/mol
Exact Mass584.51
IUPAC Nameethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine
SMILESC.C.C.CC.CC.CC.CC.Cc1ccc2cccc(Nc3ccccc3)c2c1.Cc1ccccc1Nc1ccccc1
InChIInChI=1S/C17H15N.C13H13N.4C2H6.3CH4/c1-13-10-11-14-6-5-9-17(16(14)12-13)18-15-7-3-2-4-8-15;1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;4*1-2;;;/h2-12,18H,1H3;2-10,14H,1H3;4*1-2H3;3*1H4
InChIKeyJHWVKWLLRQLYSY-UHFFFAOYSA-N
XLogP14.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.98
LogP ≤ 514.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777
benzylbenzene;ethane;bis(N-phenylnaphthalen-1-amine)
CID 157375605
4-methyl-2-(2-methylphenyl)-N-phenylaniline
CID 70565029
N-(4-methylphenyl)phenanthren-4-amine
CID 122607190
2,3-dimethyl-N-phenylaniline
CID 14952469
N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 126559839
phenol;N-phenylnaphthalen-1-amine
CID 159146578
N-(2-anilino-6-methylphenyl)hydroxylamine
CID 88948360
2-methyl-3-(2-methylphenyl)-N-phenylaniline
CID 145291180
N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine
CID 150848719
1,6-dimethylphenanthrene;ethane
CID 144939314
3-methyl-1-N-phenylbenzene-1,2-diamine
CID 53424314

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine?
The IUPAC name of ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine (CID 158921504) is ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine.
What is the SMILES notation for ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine?
The canonical SMILES for ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine is C.C.C.CC.CC.CC.CC.Cc1ccc2cccc(Nc3ccccc3)c2c1.Cc1ccccc1Nc1ccccc1.
What is the InChIKey of ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine?
The InChIKey is JHWVKWLLRQLYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N.C13H13N.4C2H6.3CH4/c1-13-10-11-14-6-5-9-17(16(14)12-13)18-15-7-3-2-4-8-15;1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;4*1-2;;;/h2-12,18H,1H3;2-10,14H,1H3;4*1-2H3;3*1H4.
What are the key properties of ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine?
ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine has a molecular weight of 584.98 g/mol, XLogP of 14.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methyl-N-phenylaniline;7-methyl-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 158921504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).