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

C17H19NS — CID 43759178

IUPACN-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCSc1ccc(NC2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H19NS/c1-19-17-10-8-15(9-11-17)18-16-7-6-13-4-2-3-5-14(13)12-16/h2-5,8-11,16,18H,6-7,12H2,1H3
InChIKeyJLDPNMGNVSYVJA-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.38
Rot. Bonds3

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

N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 43759178) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID43759178
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC NameN-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCSc1ccc(NC2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H19NS/c1-19-17-10-8-15(9-11-17)18-16-7-6-13-4-2-3-5-14(13)12-16/h2-5,8-11,16,18H,6-7,12H2,1H3
InChIKeyJLDPNMGNVSYVJA-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,2,3,4-tetrahydronaphthalen-2-ylamino)phenyl]ethanol
CID 61236425
[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
CID 93294306
N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107572538
5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
CID 112647668
N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15078242
2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 63450820
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxalin-6-amine
CID 60943397
N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107364341
N-(4-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 15637824
4-N-(4-methylsulfanylphenyl)cyclohexane-1,4-diamine
CID 79736798
7-methoxy-N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510225
N-(4-methylsulfanylphenyl)oxetan-3-amine
CID 63623834

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 43759178) is N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CSc1ccc(NC2CCc3ccccc3C2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is JLDPNMGNVSYVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-19-17-10-8-15(9-11-17)18-16-7-6-13-4-2-3-5-14(13)12-16/h2-5,8-11,16,18H,6-7,12H2,1H3.
What are the key properties of N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 269.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 43759178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).