N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine

C18H21NOS — CID 64620538

IUPACN-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1Sc1ccc(OC)cc1
InChIInChI=1S/C18H21NOS/c1-3-19-18-16-7-5-4-6-13(16)12-17(18)21-15-10-8-14(20-2)9-11-15/h4-11,17-19H,3,12H2,1-2H3
InChIKeyNRBAQDQXCOGYRN-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.06
Rot. Bonds5

About N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine

N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64620538) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64620538
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1c2ccccc2CC1Sc1ccc(OC)cc1
InChIInChI=1S/C18H21NOS/c1-3-19-18-16-7-5-4-6-13(16)12-17(18)21-15-10-8-14(20-2)9-11-15/h4-11,17-19H,3,12H2,1-2H3
InChIKeyNRBAQDQXCOGYRN-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64619862
N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64627978
N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368198
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 64611334
N-ethyl-4-methyl-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420483
N-ethyl-6-methoxy-2-(2-methylbutylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 107763601
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
N-ethyl-2-(4-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
CID 64621898
N-ethyl-6-methoxy-2-propylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64614896
4-methoxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 5152197
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 55139716
N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64626428

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine (CID 64620538) is N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine is CCNC1c2ccccc2CC1Sc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NRBAQDQXCOGYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-3-19-18-16-7-5-4-6-13(16)12-17(18)21-15-10-8-14(20-2)9-11-15/h4-11,17-19H,3,12H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine?
N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 299.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64620538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).