ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol

C21H30N2O — CID 143127907

IUPACethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol
SMILESCC.CNCC(O)CC1Cc2ccccc2Cc2ccccc2N1
InChIInChI=1S/C19H24N2O.C2H6/c1-20-13-18(22)12-17-11-15-7-3-2-6-14(15)10-16-8-4-5-9-19(16)21-17;1-2/h2-9,17-18,20-22H,10-13H2,1H3;1-2H3
InChIKeyNQLTYESTGGPXQD-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.61
Rot. Bonds4

About ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol

ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol (PubChem CID 143127907) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol.

Molecular Properties

Compound Nameethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol
PubChem CID143127907
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Nameethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol
SMILESCC.CNCC(O)CC1Cc2ccccc2Cc2ccccc2N1
InChIInChI=1S/C19H24N2O.C2H6/c1-20-13-18(22)12-17-11-15-7-3-2-6-14(15)10-16-8-4-5-9-19(16)21-17;1-2/h2-9,17-18,20-22H,10-13H2,1H3;1-2H3
InChIKeyNQLTYESTGGPXQD-UHFFFAOYSA-N
XLogP3.61
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol 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-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-3-(methylamino)propan-2-ol
CID 143127873
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
CID 130522123
(2R)-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 1380957
1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117200787
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methylpropan-2-amine
CID 80567683
3-(2,3-dihydro-1H-indol-2-yl)propan-1-ol
CID 10976039
2-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole
CID 65042265
2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine
CID 70577238
methyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamodithioate
CID 89003399

Frequently Asked Questions

What is the IUPAC name of ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol?
The IUPAC name of ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol (CID 143127907) is ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol.
What is the SMILES notation for ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol?
The canonical SMILES for ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol is CC.CNCC(O)CC1Cc2ccccc2Cc2ccccc2N1.
What is the InChIKey of ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol?
The InChIKey is NQLTYESTGGPXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.C2H6/c1-20-13-18(22)12-17-11-15-7-3-2-6-14(15)10-16-8-4-5-9-19(16)21-17;1-2/h2-9,17-18,20-22H,10-13H2,1H3;1-2H3.
What are the key properties of ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol?
ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol has a molecular weight of 326.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(methylamino)-3-(5,10,11,12-tetrahydrobenzo[d][1]benzazocin-11-yl)propan-2-ol is sourced from PubChem (CID 143127907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).