6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine

C16H21N3O — CID 103007158

IUPAC6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(CCc1cnn(C)c1)CC2
InChIInChI=1S/C16H21N3O/c1-19-11-12(10-18-19)5-7-16(17)8-6-13-3-4-14(20-2)9-15(13)16/h3-4,9-11H,5-8,17H2,1-2H3
InChIKeyRCSWZYUFNQUIPS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.16
Rot. Bonds4

About 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine

6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine (PubChem CID 103007158) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine
PubChem CID103007158
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(CCc1cnn(C)c1)CC2
InChIInChI=1S/C16H21N3O/c1-19-11-12(10-18-19)5-7-16(17)8-6-13-3-4-14(20-2)9-15(13)16/h3-4,9-11H,5-8,17H2,1-2H3
InChIKeyRCSWZYUFNQUIPS-UHFFFAOYSA-N
XLogP2.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol
CID 103006424
1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 103006983
1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79374434
6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine
CID 79374362
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103007085
7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79241254
1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine
CID 79699262
5-[2-(1-methylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 103005740

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine?
The IUPAC name of 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine (CID 103007158) is 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine.
What is the SMILES notation for 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine?
The canonical SMILES for 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine is COc1ccc2c(c1)C(N)(CCc1cnn(C)c1)CC2.
What is the InChIKey of 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine?
The InChIKey is RCSWZYUFNQUIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-11-12(10-18-19)5-7-16(17)8-6-13-3-4-14(20-2)9-15(13)16/h3-4,9-11H,5-8,17H2,1-2H3.
What are the key properties of 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine?
6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 103007158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).