(5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine

C13H19NO — CID 70594699

IUPAC(5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine
SMILESCOc1ccc2c(c1CN)CCC2(C)C
InChIInChI=1S/C13H19NO/c1-13(2)7-6-9-10(8-14)12(15-3)5-4-11(9)13/h4-5H,6-8,14H2,1-3H3
InChIKeyOWDMUXDCYGHYPQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.38
Rot. Bonds2

About (5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine

(5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine (PubChem CID 70594699) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine
PubChem CID70594699
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine
SMILESCOc1ccc2c(c1CN)CCC2(C)C
InChIInChI=1S/C13H19NO/c1-13(2)7-6-9-10(8-14)12(15-3)5-4-11(9)13/h4-5H,6-8,14H2,1-3H3
InChIKeyOWDMUXDCYGHYPQ-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
(1S)-1-(aminomethyl)-5,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 93182143
2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
CID 82159660
[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
CID 117365897
[4-[[2-[[1-[[4-(aminomethyl)phenyl]methyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]oxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl]methyl]phenyl]methanamine
CID 67916548
1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84787995
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
7-methoxy-3,3-dimethyl-1,2-dihydroindene-4-carbaldehyde
CID 135060366
5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene
CID 171049136
6-ethyl-7-fluoro-3,3-dimethyl-1,2-dihydroindene
CID 144966147
1-(7-methoxy-2,3-dihydro-1H-inden-4-yl)cyclopropan-1-amine
CID 84777430
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine?
The IUPAC name of (5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine (CID 70594699) is (5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine.
What is the SMILES notation for (5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine?
The canonical SMILES for (5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine is COc1ccc2c(c1CN)CCC2(C)C.
What is the InChIKey of (5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine?
The InChIKey is OWDMUXDCYGHYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)7-6-9-10(8-14)12(15-3)5-4-11(9)13/h4-5H,6-8,14H2,1-3H3.
What are the key properties of (5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine?
(5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1,1-dimethyl-2,3-dihydroinden-4-yl)methanamine is sourced from PubChem (CID 70594699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).