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

C18H22N2 — CID 63533302

IUPAC(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC1Cc2ccccc2N(c2ccccc2[C@H](C)N)C1
InChIInChI=1S/C18H22N2/c1-13-11-15-7-3-5-9-17(15)20(12-13)18-10-6-4-8-16(18)14(2)19/h3-10,13-14H,11-12,19H2,1-2H3/t13?,14-/m0/s1
InChIKeyDUXGTFKVYBEHER-KZUDCZAMSA-N
MW266.39 g/mol
LogP4.04
Rot. Bonds2

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

(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (PubChem CID 63533302) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
PubChem CID63533302
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC1Cc2ccccc2N(c2ccccc2[C@H](C)N)C1
InChIInChI=1S/C18H22N2/c1-13-11-15-7-3-5-9-17(15)20(12-13)18-10-6-4-8-16(18)14(2)19/h3-10,13-14H,11-12,19H2,1-2H3/t13?,14-/m0/s1
InChIKeyDUXGTFKVYBEHER-KZUDCZAMSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78944403
1-[2-fluoro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63532709
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
CID 79009222
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 65342629
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 106890411
3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one
CID 104787921
3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115550530
2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 61224430
1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 114538247

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (CID 63533302) is (1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is CC1Cc2ccccc2N(c2ccccc2[C@H](C)N)C1.
What is the InChIKey of (1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The InChIKey is DUXGTFKVYBEHER-KZUDCZAMSA-N. The full InChI is InChI=1S/C18H22N2/c1-13-11-15-7-3-5-9-17(15)20(12-13)18-10-6-4-8-16(18)14(2)19/h3-10,13-14H,11-12,19H2,1-2H3/t13?,14-/m0/s1.
What are the key properties of (1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63533302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).