1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine

C16H17NO — CID 54919051

IUPAC1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
SMILESCOc1cccc(C2(N)CCc3ccccc32)c1
InChIInChI=1S/C16H17NO/c1-18-14-7-4-6-13(11-14)16(17)10-9-12-5-2-3-8-15(12)16/h2-8,11H,9-10,17H2,1H3
InChIKeyRWQIFEZJBYSUSK-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.84
Rot. Bonds2

About 1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine

1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine (PubChem CID 54919051) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
PubChem CID54919051
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
SMILESCOc1cccc(C2(N)CCc3ccccc32)c1
InChIInChI=1S/C16H17NO/c1-18-14-7-4-6-13(11-14)16(17)10-9-12-5-2-3-8-15(12)16/h2-8,11H,9-10,17H2,1H3
InChIKeyRWQIFEZJBYSUSK-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60795066
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 65313131
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79375070
1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79701029
1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79371978
1-(3,5-difluorophenyl)-2,3-dihydroinden-1-amine
CID 55115938
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 54919324
(3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one
CID 153363676

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine (CID 54919051) is 1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine is COc1cccc(C2(N)CCc3ccccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine?
The InChIKey is RWQIFEZJBYSUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-14-7-4-6-13(11-14)16(17)10-9-12-5-2-3-8-15(12)16/h2-8,11H,9-10,17H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine?
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 54919051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).