1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol

C12H17NO2 — CID 82077494

IUPAC1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol
SMILESCOc1cccc2c1C(C)CC2(O)CN
InChIInChI=1S/C12H17NO2/c1-8-6-12(14,7-13)9-4-3-5-10(15-2)11(8)9/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeyWTWHHMSBWZSRLV-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.35
Rot. Bonds2

About 1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol

1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol (PubChem CID 82077494) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol
PubChem CID82077494
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol
SMILESCOc1cccc2c1C(C)CC2(O)CN
InChIInChI=1S/C12H17NO2/c1-8-6-12(14,7-13)9-4-3-5-10(15-2)11(8)9/h3-5,8,14H,6-7,13H2,1-2H3
InChIKeyWTWHHMSBWZSRLV-UHFFFAOYSA-N
XLogP1.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82611087
3-(aminomethyl)-3-(2-methoxyphenyl)cyclopentan-1-ol
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[(1R)-2-(2-methoxyphenyl)-2-methylcyclopropyl]methanamine
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1-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropan-1-ol
CID 79333022
[3-tert-butyl-1-(2-methoxyphenyl)cyclobutyl]methanamine
CID 65016714
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
CID 82808469
(4S,7R)-7-(aminomethyl)-9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-7-ol
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[2-(2-methoxyphenyl)-2-methylcyclopropyl]methanol
CID 81358735
1-(5-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)cyclopropan-1-amine
CID 105443737
3-(2,6-dimethoxyphenyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171955282
1-(2-amino-3-methoxyphenyl)cyclopentan-1-ol
CID 117104185

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol (CID 82077494) is 1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol is COc1cccc2c1C(C)CC2(O)CN.
What is the InChIKey of 1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol?
The InChIKey is WTWHHMSBWZSRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-6-12(14,7-13)9-4-3-5-10(15-2)11(8)9/h3-5,8,14H,6-7,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol?
1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol has a molecular weight of 207.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methoxy-3-methyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 82077494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).