2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane

C28H50N2 — CID 160718601

IUPAC2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane
SMILESC.C.CC.CC.CC.CCN(C)c1ccc2c(ccc3cc(N(C)CC)ccc32)c1
InChIInChI=1S/C20H24N2.3C2H6.2CH4/c1-5-21(3)17-9-11-19-15(13-17)7-8-16-14-18(22(4)6-2)10-12-20(16)19;3*1-2;;/h7-14H,5-6H2,1-4H3;3*1-2H3;2*1H4
InChIKeyRSULJZQKJIHLKG-UHFFFAOYSA-N
MW414.72 g/mol
LogP9.26
Rot. Bonds4

About 2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane

2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane (PubChem CID 160718601) has the molecular formula C28H50N2 and a molecular weight of 414.72 g/mol. Its IUPAC name is 2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane.

Molecular Properties

Compound Name2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane
PubChem CID160718601
Molecular FormulaC28H50N2
Molecular Weight414.72 g/mol
Exact Mass414.40
IUPAC Name2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane
SMILESC.C.CC.CC.CC.CCN(C)c1ccc2c(ccc3cc(N(C)CC)ccc32)c1
InChIInChI=1S/C20H24N2.3C2H6.2CH4/c1-5-21(3)17-9-11-19-15(13-17)7-8-16-14-18(22(4)6-2)10-12-20(16)19;3*1-2;;/h7-14H,5-6H2,1-4H3;3*1-2H3;2*1H4
InChIKeyRSULJZQKJIHLKG-UHFFFAOYSA-N
XLogP9.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-[ethyl(methyl)amino]chromen-2-one
CID 154538334
3,4-dichloro-N-ethyl-N-methylaniline
CID 59726249
N-ethyl-N,4-dimethylaniline
CID 3036494
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline
CID 101400196
N,3-diethyl-N-methylaniline
CID 131018542
N,N-diethyl-5-methylnaphthalen-2-amine
CID 22944612
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
butane;chrysene;ethane
CID 143984277
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-ethyl-3-methoxy-N-methylaniline
CID 67357774

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane?
The IUPAC name of 2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane (CID 160718601) is 2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane.
What is the SMILES notation for 2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane?
The canonical SMILES for 2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane is C.C.CC.CC.CC.CCN(C)c1ccc2c(ccc3cc(N(C)CC)ccc32)c1.
What is the InChIKey of 2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane?
The InChIKey is RSULJZQKJIHLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2.3C2H6.2CH4/c1-5-21(3)17-9-11-19-15(13-17)7-8-16-14-18(22(4)6-2)10-12-20(16)19;3*1-2;;/h7-14H,5-6H2,1-4H3;3*1-2H3;2*1H4.
What are the key properties of 2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane?
2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane has a molecular weight of 414.72 g/mol, XLogP of 9.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-diethyl-2-N,7-N-dimethylphenanthrene-2,7-diamine;ethane;methane is sourced from PubChem (CID 160718601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).