N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

C18H21NO — CID 103777702

IUPACN-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc(CCNC2CCc3ccccc32)c1
InChIInChI=1S/C18H21NO/c1-20-16-7-4-5-14(13-16)11-12-19-18-10-9-15-6-2-3-8-17(15)18/h2-8,13,18-19H,9-12H2,1H3
InChIKeyINAGMVLYRXEXSJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.51
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103777702) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103777702
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc(CCNC2CCc3ccccc32)c1
InChIInChI=1S/C18H21NO/c1-20-16-7-4-5-14(13-16)11-12-19-18-10-9-15-6-2-3-8-17(15)18/h2-8,13,18-19H,9-12H2,1H3
InChIKeyINAGMVLYRXEXSJ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 55024692
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682315
6-methoxy-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79367119
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 56665294
methyl 3-[1-[2-(3,5-dimethoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 76837961
methanol;(E)-2-[1-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]ethenol;yttrium
CID 155703967
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43612746

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 103777702) is N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is COc1cccc(CCNC2CCc3ccccc32)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is INAGMVLYRXEXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-16-7-4-5-14(13-16)11-12-19-18-10-9-15-6-2-3-8-17(15)18/h2-8,13,18-19H,9-12H2,1H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103777702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).