2-(methylsulfanylmethyl)-N-phenylaniline

C14H15NS — CID 15727799

IUPAC2-(methylsulfanylmethyl)-N-phenylaniline
SMILESCSCc1ccccc1Nc1ccccc1
InChIInChI=1S/C14H15NS/c1-16-11-12-7-5-6-10-14(12)15-13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChIKeyLFAFGFMPBKDRMF-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.29
Rot. Bonds4

About 2-(methylsulfanylmethyl)-N-phenylaniline

2-(methylsulfanylmethyl)-N-phenylaniline (PubChem CID 15727799) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-N-phenylaniline.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-N-phenylaniline
PubChem CID15727799
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name2-(methylsulfanylmethyl)-N-phenylaniline
SMILESCSCc1ccccc1Nc1ccccc1
InChIInChI=1S/C14H15NS/c1-16-11-12-7-5-6-10-14(12)15-13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChIKeyLFAFGFMPBKDRMF-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pentyl-N-phenylaniline
CID 20516677
N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 15175680
2-[(4-methylphenyl)methyl]-N-phenylaniline
CID 11708854
1-N,4-N-bis[2-(octylsulfanylmethyl)phenyl]benzene-1,4-diamine
CID 22761504
4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 155386748
4-N-(2-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027221
N-phenyl-2-(piperidin-1-ylmethyl)aniline
CID 162401807
4-(2-ethylanilino)benzenethiol
CID 166755248
benzylbenzene;ethane;bis(N-phenylnaphthalen-1-amine)
CID 157375605
2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline
CID 71416566
1-chloro-2-(methylsulfanylmethyl)benzene;ethane
CID 162765163
2-[2-(4-bromoanilino)phenyl]acetic acid
CID 18546402

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-N-phenylaniline?
The IUPAC name of 2-(methylsulfanylmethyl)-N-phenylaniline (CID 15727799) is 2-(methylsulfanylmethyl)-N-phenylaniline.
What is the SMILES notation for 2-(methylsulfanylmethyl)-N-phenylaniline?
The canonical SMILES for 2-(methylsulfanylmethyl)-N-phenylaniline is CSCc1ccccc1Nc1ccccc1.
What is the InChIKey of 2-(methylsulfanylmethyl)-N-phenylaniline?
The InChIKey is LFAFGFMPBKDRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-16-11-12-7-5-6-10-14(12)15-13-8-3-2-4-9-13/h2-10,15H,11H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-N-phenylaniline?
2-(methylsulfanylmethyl)-N-phenylaniline has a molecular weight of 229.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-N-phenylaniline is sourced from PubChem (CID 15727799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).