ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine

C22H25N — CID 145232526

IUPACethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
SMILESC/C=C\c1c(C)ccc2cc(Nc3ccccc3)ccc12.CC
InChIInChI=1S/C20H19N.C2H6/c1-3-7-19-15(2)10-11-16-14-18(12-13-20(16)19)21-17-8-5-4-6-9-17;1-2/h3-14,21H,1-2H3;1-2H3/b7-3-;
InChIKeyCFLWXWHPFSXWLX-WYLUAFJRSA-N
MW303.45 g/mol
LogP6.95
Rot. Bonds3

About ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine

ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine (PubChem CID 145232526) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine.

Molecular Properties

Compound Nameethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
PubChem CID145232526
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Nameethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
SMILESC/C=C\c1c(C)ccc2cc(Nc3ccccc3)ccc12.CC
InChIInChI=1S/C20H19N.C2H6/c1-3-7-19-15(2)10-11-16-14-18(12-13-20(16)19)21-17-8-5-4-6-9-17;1-2/h3-14,21H,1-2H3;1-2H3/b7-3-;
InChIKeyCFLWXWHPFSXWLX-WYLUAFJRSA-N
XLogP6.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-prop-1-enylnaphthalene
CID 123646968
N-phenylphenanthren-2-amine
CID 23175030
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene
CID 145407652
ethene;2-methyl-N,1-diphenyl-3-[(Z)-prop-1-enyl]indol-5-amine
CID 143402088
nonane;N-phenylnaphthalen-2-amine
CID 159912384
2-ethynyl-3-methyl-1-prop-1-enylnaphthalene
CID 123697690
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline
CID 90743149
N,6-diphenylnaphthalen-2-amine
CID 67205043
2,4-dimethyl-N-phenylquinazolin-7-amine
CID 175557011

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine?
The IUPAC name of ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine (CID 145232526) is ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine.
What is the SMILES notation for ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine?
The canonical SMILES for ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine is C/C=C\c1c(C)ccc2cc(Nc3ccccc3)ccc12.CC.
What is the InChIKey of ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine?
The InChIKey is CFLWXWHPFSXWLX-WYLUAFJRSA-N. The full InChI is InChI=1S/C20H19N.C2H6/c1-3-7-19-15(2)10-11-16-14-18(12-13-20(16)19)21-17-8-5-4-6-9-17;1-2/h3-14,21H,1-2H3;1-2H3/b7-3-;.
What are the key properties of ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine?
ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine has a molecular weight of 303.45 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine is sourced from PubChem (CID 145232526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).