6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride

C26H28ClNO2 — CID 162338062

IUPAC6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCOc1cccc(-c2ccc(C3C[C@@H]3NC3CCc4ccc(OC)cc43)cc2)c1.Cl
InChIInChI=1S/C26H27NO2.ClH/c1-28-21-5-3-4-20(14-21)17-6-8-18(9-7-17)24-16-26(24)27-25-13-11-19-10-12-22(29-2)15-23(19)25;/h3-10,12,14-15,24-27H,11,13,16H2,1-2H3;1H/t24?,25?,26-;/m0./s1
InChIKeyOOIJTXWBVMCGSI-GODSSRNBSA-N
MW421.97 g/mol
LogP5.93
Rot. Bonds6

About 6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride

6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 162338062) has the molecular formula C26H28ClNO2 and a molecular weight of 421.97 g/mol. Its IUPAC name is 6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID162338062
Molecular FormulaC26H28ClNO2
Molecular Weight421.97 g/mol
Exact Mass421.18
IUPAC Name6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCOc1cccc(-c2ccc(C3C[C@@H]3NC3CCc4ccc(OC)cc43)cc2)c1.Cl
InChIInChI=1S/C26H27NO2.ClH/c1-28-21-5-3-4-20(14-21)17-6-8-18(9-7-17)24-16-26(24)27-25-13-11-19-10-12-22(29-2)15-23(19)25;/h3-10,12,14-15,24-27H,11,13,16H2,1-2H3;1H/t24?,25?,26-;/m0./s1
InChIKeyOOIJTXWBVMCGSI-GODSSRNBSA-N
XLogP5.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride with MolForge

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Related Compounds

N-[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 89486617
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
6-methoxy-N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 79367052
6-methoxy-N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-amine
CID 104584581
6-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-inden-1-amine
CID 79374307
6-methoxy-N-(3-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 103082978
(3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 70959568
N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367336
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79232396
N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 162338062) is 6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride is COc1cccc(-c2ccc(C3C[C@@H]3NC3CCc4ccc(OC)cc43)cc2)c1.Cl.
What is the InChIKey of 6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is OOIJTXWBVMCGSI-GODSSRNBSA-N. The full InChI is InChI=1S/C26H27NO2.ClH/c1-28-21-5-3-4-20(14-21)17-6-8-18(9-7-17)24-16-26(24)27-25-13-11-19-10-12-22(29-2)15-23(19)25;/h3-10,12,14-15,24-27H,11,13,16H2,1-2H3;1H/t24?,25?,26-;/m0./s1.
What are the key properties of 6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride?
6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 162338062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).