N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline

C16H19NOS — CID 103731067

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
SMILESCOc1ccc(CCNc2ccccc2SC)cc1
InChIInChI=1S/C16H19NOS/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h3-10,17H,11-12H2,1-2H3
InChIKeyPDUUZFWMZAMHHM-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.07
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline

N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline (PubChem CID 103731067) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
PubChem CID103731067
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
SMILESCOc1ccc(CCNc2ccccc2SC)cc1
InChIInChI=1S/C16H19NOS/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h3-10,17H,11-12H2,1-2H3
InChIKeyPDUUZFWMZAMHHM-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446531
2-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446525
2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54797935
2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54801636
2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755
1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644674
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline
CID 68835193
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
N-(3-methoxypropyl)-2-methylsulfanylaniline
CID 103696970
3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115803243
N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
CID 23991308
N-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-8-amine
CID 90671748

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline (CID 103731067) is N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline is COc1ccc(CCNc2ccccc2SC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline?
The InChIKey is PDUUZFWMZAMHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-18-14-9-7-13(8-10-14)11-12-17-15-5-3-4-6-16(15)19-2/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline?
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline has a molecular weight of 273.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline is sourced from PubChem (CID 103731067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).