ethane;methane;7-(4-phenylbutyl)quinolin-2-amine

C22H30N2 — CID 158161287

IUPACethane;methane;7-(4-phenylbutyl)quinolin-2-amine
SMILESC.CC.Nc1ccc2ccc(CCCCc3ccccc3)cc2n1
InChIInChI=1S/C19H20N2.C2H6.CH4/c20-19-13-12-17-11-10-16(14-18(17)21-19)9-5-4-8-15-6-2-1-3-7-15;1-2;/h1-3,6-7,10-14H,4-5,8-9H2,(H2,20,21);1-2H3;1H4
InChIKeyFWHNOIPARDATGX-UHFFFAOYSA-N
MW322.50 g/mol
LogP6.04
Rot. Bonds5

About ethane;methane;7-(4-phenylbutyl)quinolin-2-amine

ethane;methane;7-(4-phenylbutyl)quinolin-2-amine (PubChem CID 158161287) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is ethane;methane;7-(4-phenylbutyl)quinolin-2-amine.

Molecular Properties

Compound Nameethane;methane;7-(4-phenylbutyl)quinolin-2-amine
PubChem CID158161287
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Nameethane;methane;7-(4-phenylbutyl)quinolin-2-amine
SMILESC.CC.Nc1ccc2ccc(CCCCc3ccccc3)cc2n1
InChIInChI=1S/C19H20N2.C2H6.CH4/c20-19-13-12-17-11-10-16(14-18(17)21-19)9-5-4-8-15-6-2-1-3-7-15;1-2;/h1-3,6-7,10-14H,4-5,8-9H2,(H2,20,21);1-2H3;1H4
InChIKeyFWHNOIPARDATGX-UHFFFAOYSA-N
XLogP6.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;4-phenylbutylbenzene
CID 173386802
7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine
CID 72771077
4-phenylbutylbenzene
CID 141301927
7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine
CID 118579721
3-hexylacridine
CID 21394642
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
ethane;methane;2-phenylethylbenzene
CID 158652330
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821
6-methyl-5-(2-phenylethyl)pyridin-2-amine
CID 68841631
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
quinolin-2-amine;zirconium
CID 175251209

Frequently Asked Questions

What is the IUPAC name of ethane;methane;7-(4-phenylbutyl)quinolin-2-amine?
The IUPAC name of ethane;methane;7-(4-phenylbutyl)quinolin-2-amine (CID 158161287) is ethane;methane;7-(4-phenylbutyl)quinolin-2-amine.
What is the SMILES notation for ethane;methane;7-(4-phenylbutyl)quinolin-2-amine?
The canonical SMILES for ethane;methane;7-(4-phenylbutyl)quinolin-2-amine is C.CC.Nc1ccc2ccc(CCCCc3ccccc3)cc2n1.
What is the InChIKey of ethane;methane;7-(4-phenylbutyl)quinolin-2-amine?
The InChIKey is FWHNOIPARDATGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2.C2H6.CH4/c20-19-13-12-17-11-10-16(14-18(17)21-19)9-5-4-8-15-6-2-1-3-7-15;1-2;/h1-3,6-7,10-14H,4-5,8-9H2,(H2,20,21);1-2H3;1H4.
What are the key properties of ethane;methane;7-(4-phenylbutyl)quinolin-2-amine?
ethane;methane;7-(4-phenylbutyl)quinolin-2-amine has a molecular weight of 322.50 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;7-(4-phenylbutyl)quinolin-2-amine is sourced from PubChem (CID 158161287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).