4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline

C13H21NS — CID 83961206

IUPAC4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline
SMILESCCSCc1ccc(NCC(C)C)cc1
InChIInChI=1S/C13H21NS/c1-4-15-10-12-5-7-13(8-6-12)14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyYRKCHWHFTWVDMM-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.01
Rot. Bonds6

About 4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline

4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline (PubChem CID 83961206) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline
PubChem CID83961206
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline
SMILESCCSCc1ccc(NCC(C)C)cc1
InChIInChI=1S/C13H21NS/c1-4-15-10-12-5-7-13(8-6-12)14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyYRKCHWHFTWVDMM-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2-methylpropyl)aniline
CID 83962134
4-(ethylsulfanylmethyl)-N-(2-methoxyethyl)aniline
CID 83961195
N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline
CID 83961205
4-(2-methylpropylamino)phenol
CID 15847203
4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline
CID 146626149
4-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 115876906
4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 83961211
1-(ethylsulfanylmethyl)-3-(2-methylpropylsulfanylmethyl)benzene
CID 139383873
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
1-N-[4-(propan-2-ylsulfanylmethyl)phenyl]hexane-1,2-diamine
CID 83961130
N-(2,2-dimethylpropyl)-4-(propylsulfanylmethyl)aniline
CID 83961263

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline (CID 83961206) is 4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline is CCSCc1ccc(NCC(C)C)cc1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline?
The InChIKey is YRKCHWHFTWVDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-15-10-12-5-7-13(8-6-12)14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of 4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline?
4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline has a molecular weight of 223.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N-(2-methylpropyl)aniline is sourced from PubChem (CID 83961206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).