(1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol

C13H19NO3 — CID 93182143

IUPAC(1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1ccc2c(c1OC)CCC[C@@]2(O)CN
InChIInChI=1S/C13H19NO3/c1-16-11-6-5-10-9(12(11)17-2)4-3-7-13(10,15)8-14/h5-6,15H,3-4,7-8,14H2,1-2H3/t13-/m1/s1
InChIKeyVQAPLOLMHKFGHJ-CYBMUJFWSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds3

About (1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol

(1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 93182143) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID93182143
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1ccc2c(c1OC)CCC[C@@]2(O)CN
InChIInChI=1S/C13H19NO3/c1-16-11-6-5-10-9(12(11)17-2)4-3-7-13(10,15)8-14/h5-6,15H,3-4,7-8,14H2,1-2H3/t13-/m1/s1
InChIKeyVQAPLOLMHKFGHJ-CYBMUJFWSA-N
XLogP1.19
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
7',8'-dimethoxyspiro[1,3-benzodithiole-2,4'-2,3-dihydro-1H-naphthalene]
CID 13033810
[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
CID 117365897
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
[1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclobutyl]methanamine
CID 117334912
1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117368497

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of (1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol (CID 93182143) is (1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for (1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for (1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol is COc1ccc2c(c1OC)CCC[C@@]2(O)CN.
What is the InChIKey of (1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is VQAPLOLMHKFGHJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-11-6-5-10-9(12(11)17-2)4-3-7-13(10,15)8-14/h5-6,15H,3-4,7-8,14H2,1-2H3/t13-/m1/s1.
What are the key properties of (1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol?
(1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 237.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 93182143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).