N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H19NS — CID 43105442

IUPACN-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCSc1cccc(NC2CCCc3ccccc32)c1
InChIInChI=1S/C17H19NS/c1-19-15-9-5-8-14(12-15)18-17-11-4-7-13-6-2-3-10-16(13)17/h2-3,5-6,8-10,12,17-18H,4,7,11H2,1H3
InChIKeySRMBQOWVXOMFEB-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.90
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43105442) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43105442
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC NameN-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCSc1cccc(NC2CCCc3ccccc32)c1
InChIInChI=1S/C17H19NS/c1-19-15-9-5-8-14(12-15)18-17-11-4-7-13-6-2-3-10-16(13)17/h2-3,5-6,8-10,12,17-18H,4,7,11H2,1H3
InChIKeySRMBQOWVXOMFEB-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 115375952
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79054379
1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea
CID 4508008
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43119146
N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 146303538
N-(3,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63477361
6-chloro-N-(3-methylsulfanylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43757315
N-(3-iodo-4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43716262
2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
CID 63451260
6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80546785
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43105442) is N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CSc1cccc(NC2CCCc3ccccc32)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SRMBQOWVXOMFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-19-15-9-5-8-14(12-15)18-17-11-4-7-13-6-2-3-10-16(13)17/h2-3,5-6,8-10,12,17-18H,4,7,11H2,1H3.
What are the key properties of N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 269.41 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43105442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).