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

C18H21ClN2 — CID 63532975

IUPAC(1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC1CCc2ccccc2N1c1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-12-7-8-14-5-3-4-6-17(14)21(12)18-10-9-15(13(2)20)11-16(18)19/h3-6,9-13H,7-8,20H2,1-2H3/t12?,13-/m1/s1
InChIKeyGUQSEVJTMOMSFM-ZGTCLIOFSA-N
MW300.83 g/mol
LogP4.83
Rot. Bonds2

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

(1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (PubChem CID 63532975) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
PubChem CID63532975
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name(1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC1CCc2ccccc2N1c1ccc([C@@H](C)N)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-12-7-8-14-5-3-4-6-17(14)21(12)18-10-9-15(13(2)20)11-16(18)19/h3-6,9-13H,7-8,20H2,1-2H3/t12?,13-/m1/s1
InChIKeyGUQSEVJTMOMSFM-ZGTCLIOFSA-N
XLogP4.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (CID 63532975) is (1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is CC1CCc2ccccc2N1c1ccc([C@@H](C)N)cc1Cl.
What is the InChIKey of (1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The InChIKey is GUQSEVJTMOMSFM-ZGTCLIOFSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-12-7-8-14-5-3-4-6-17(14)21(12)18-10-9-15(13(2)20)11-16(18)19/h3-6,9-13H,7-8,20H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
(1R)-1-[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 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63532975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).