(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine

C13H19NO — CID 97357930

IUPAC(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCOCCN[C@H]1CCc2ccc(C)cc21
InChIInChI=1S/C13H19NO/c1-10-3-4-11-5-6-13(12(11)9-10)14-7-8-15-2/h3-4,9,13-14H,5-8H2,1-2H3/t13-/m0/s1
InChIKeyYHPYOVKQOPXHLK-ZDUSSCGKSA-N
MW205.30 g/mol
LogP2.22
Rot. Bonds4

About (1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine

(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 97357930) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID97357930
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCOCCN[C@H]1CCc2ccc(C)cc21
InChIInChI=1S/C13H19NO/c1-10-3-4-11-5-6-13(12(11)9-10)14-7-8-15-2/h3-4,9,13-14H,5-8H2,1-2H3/t13-/m0/s1
InChIKeyYHPYOVKQOPXHLK-ZDUSSCGKSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113261344
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
6-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 81301273
4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 114210431
6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 115716161
5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 114161832
N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine
CID 103787790
N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 81296847
3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781987
3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 115765361
6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103872004
N-cyclopropyl-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 75488646

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine (CID 97357930) is (1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine is COCCN[C@H]1CCc2ccc(C)cc21.
What is the InChIKey of (1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YHPYOVKQOPXHLK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-3-4-11-5-6-13(12(11)9-10)14-7-8-15-2/h3-4,9,13-14H,5-8H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine?
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 97357930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).