1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine

C19H30N2 — CID 102726801

IUPAC1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C19H30N2/c1-3-17(20-2)16-11-5-7-13-19(16)21-14-8-10-15-9-4-6-12-18(15)21/h5,7,11,13,15,17-18,20H,3-4,6,8-10,12,14H2,1-2H3/t15-,17?,18-/m1/s1
InChIKeyMFIDZIULXOYWHP-NEBWYHTOSA-N
MW286.46 g/mol
LogP4.52
Rot. Bonds4

About 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine

1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine (PubChem CID 102726801) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine
PubChem CID102726801
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C19H30N2/c1-3-17(20-2)16-11-5-7-13-19(16)21-14-8-10-15-9-4-6-12-18(15)21/h5,7,11,13,15,17-18,20H,3-4,6,8-10,12,14H2,1-2H3/t15-,17?,18-/m1/s1
InChIKeyMFIDZIULXOYWHP-NEBWYHTOSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 112677835
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine
CID 112678184
1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine
CID 115994813
[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol
CID 112677818
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenyl]methyl]propan-1-amine
CID 43628414
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one
CID 112678132
1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995308
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]propan-1-one
CID 102726715
1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine
CID 112678178
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione
CID 115995318
2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 115995408
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 115995201

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine (CID 102726801) is 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine?
The InChIKey is MFIDZIULXOYWHP-NEBWYHTOSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-17(20-2)16-11-5-7-13-19(16)21-14-8-10-15-9-4-6-12-18(15)21/h5,7,11,13,15,17-18,20H,3-4,6,8-10,12,14H2,1-2H3/t15-,17?,18-/m1/s1.
What are the key properties of 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine?
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 102726801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).