2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

C18H21ClN2 — CID 81159180

IUPAC2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC1CCc2ccccc2N1c1ccc(CCN)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-13-6-8-15-4-2-3-5-17(15)21(13)18-9-7-14(10-11-20)12-16(18)19/h2-5,7,9,12-13H,6,8,10-11,20H2,1H3
InChIKeyWEDKASYWDNEEQL-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.31
Rot. Bonds3

About 2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (PubChem CID 81159180) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
PubChem CID81159180
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC1CCc2ccccc2N1c1ccc(CCN)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-13-6-8-15-4-2-3-5-17(15)21(13)18-9-7-14(10-11-20)12-16(18)19/h2-5,7,9,12-13H,6,8,10-11,20H2,1H3
InChIKeyWEDKASYWDNEEQL-UHFFFAOYSA-N
XLogP4.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (CID 81159180) is 2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is CC1CCc2ccccc2N1c1ccc(CCN)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The InChIKey is WEDKASYWDNEEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-13-6-8-15-4-2-3-5-17(15)21(13)18-9-7-14(10-11-20)12-16(18)19/h2-5,7,9,12-13H,6,8,10-11,20H2,1H3.
What are the key properties of 2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine has a molecular weight of 300.83 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 81159180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).