1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine

C19H30N2 — CID 114929545

IUPAC1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)CN1CCCC2CCCCC21
InChIInChI=1S/C19H30N2/c20-18(13-12-16-7-2-1-3-8-16)15-21-14-6-10-17-9-4-5-11-19(17)21/h1-3,7-8,17-19H,4-6,9-15,20H2
InChIKeyUTBPWSAVLPGNCG-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.60
Rot. Bonds5

About 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine (PubChem CID 114929545) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine
PubChem CID114929545
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)CN1CCCC2CCCCC21
InChIInChI=1S/C19H30N2/c20-18(13-12-16-7-2-1-3-8-16)15-21-14-6-10-17-9-4-5-11-19(17)21/h1-3,7-8,17-19H,4-6,9-15,20H2
InChIKeyUTBPWSAVLPGNCG-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine with MolForge

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Related Compounds

1-(2-cyclopentylpyrrolidin-1-yl)-4-phenylbutan-2-amine
CID 114929669
1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929481
4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
CID 114929475
3-(2-cyclopentylpyrrolidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62617910
1-(azocan-1-yl)-4-phenylbutan-2-amine
CID 114929504
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-cyclopropylethanamine
CID 102725967
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypentan-2-amine
CID 102726953
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpentan-2-amine
CID 102726819
1-(4-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929474
4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 114929839
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-phenylbutan-1-amine
CID 82747118
1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
CID 114929756

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine?
The IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine (CID 114929545) is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine?
The canonical SMILES for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine is NC(CCc1ccccc1)CN1CCCC2CCCCC21.
What is the InChIKey of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine?
The InChIKey is UTBPWSAVLPGNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c20-18(13-12-16-7-2-1-3-8-16)15-21-14-6-10-17-9-4-5-11-19(17)21/h1-3,7-8,17-19H,4-6,9-15,20H2.
What are the key properties of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine?
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine has a molecular weight of 286.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine is sourced from PubChem (CID 114929545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).