3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline

C18H22N2 — CID 61263858

IUPAC3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
SMILESCc1ccc2c(c1)CCCN2C(C)c1cccc(N)c1
InChIInChI=1S/C18H22N2/c1-13-8-9-18-16(11-13)6-4-10-20(18)14(2)15-5-3-7-17(19)12-15/h3,5,7-9,11-12,14H,4,6,10,19H2,1-2H3
InChIKeyISFKEKBMEPXKCC-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.09
Rot. Bonds2

About 3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline

3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline (PubChem CID 61263858) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
PubChem CID61263858
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
SMILESCc1ccc2c(c1)CCCN2C(C)c1cccc(N)c1
InChIInChI=1S/C18H22N2/c1-13-8-9-18-16(11-13)6-4-10-20(18)14(2)15-5-3-7-17(19)12-15/h3,5,7-9,11-12,14H,4,6,10,19H2,1-2H3
InChIKeyISFKEKBMEPXKCC-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanethioamide
CID 54945043
4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol
CID 82958799
(1S)-1-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 63370631
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 64692920
N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide
CID 54945506
2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 41041689
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine
CID 106750204
ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 64661866
(1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78944297
3-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63491180
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62419939

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline?
The IUPAC name of 3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline (CID 61263858) is 3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline?
The canonical SMILES for 3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline is Cc1ccc2c(c1)CCCN2C(C)c1cccc(N)c1.
What is the InChIKey of 3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline?
The InChIKey is ISFKEKBMEPXKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-8-9-18-16(11-13)6-4-10-20(18)14(2)15-5-3-7-17(19)12-15/h3,5,7-9,11-12,14H,4,6,10,19H2,1-2H3.
What are the key properties of 3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline?
3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline is sourced from PubChem (CID 61263858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).