(1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine

C21H27NO3 — CID 11695824

IUPAC(1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine
SMILESCOc1cc2c(c(OC)c1OC)CC[C@H]2CN[C@@H](C)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-14(15-8-6-5-7-9-15)22-13-16-10-11-17-18(16)12-19(23-2)21(25-4)20(17)24-3/h5-9,12,14,16,22H,10-11,13H2,1-4H3/t14-,16-/m0/s1
InChIKeyWMLLPMNRCNAHBW-HOCLYGCPSA-N
MW341.45 g/mol
LogP4.09
Rot. Bonds7

About (1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine

(1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine (PubChem CID 11695824) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine
PubChem CID11695824
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine
SMILESCOc1cc2c(c(OC)c1OC)CC[C@H]2CN[C@@H](C)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-14(15-8-6-5-7-9-15)22-13-16-10-11-17-18(16)12-19(23-2)21(25-4)20(17)24-3/h5-9,12,14,16,22H,10-11,13H2,1-4H3/t14-,16-/m0/s1
InChIKeyWMLLPMNRCNAHBW-HOCLYGCPSA-N
XLogP4.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine with MolForge

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Related Compounds

2-[[(1-hydroxy-1-phenylpropan-2-yl)amino]methyl]-5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 110182450
(1S)-N-[(3-iodo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 7390001
(2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102701
(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014185
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine
CID 70456029
1-(3-bromo-4-methoxyphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115719847
(1R)-1-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81347497
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide
CID 110636042
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17293395
N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109328
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 79206268

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine?
The IUPAC name of (1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine (CID 11695824) is (1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine is COc1cc2c(c(OC)c1OC)CC[C@H]2CN[C@@H](C)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine?
The InChIKey is WMLLPMNRCNAHBW-HOCLYGCPSA-N. The full InChI is InChI=1S/C21H27NO3/c1-14(15-8-6-5-7-9-15)22-13-16-10-11-17-18(16)12-19(23-2)21(25-4)20(17)24-3/h5-9,12,14,16,22H,10-11,13H2,1-4H3/t14-,16-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine?
(1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine has a molecular weight of 341.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-[[(1R)-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl]methyl]ethanamine is sourced from PubChem (CID 11695824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).