N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline

C13H19NS — CID 83961205

IUPACN-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline
SMILESCCSCc1ccc(NCC2CC2)cc1
InChIInChI=1S/C13H19NS/c1-2-15-10-12-5-7-13(8-6-12)14-9-11-3-4-11/h5-8,11,14H,2-4,9-10H2,1H3
InChIKeyISFYAIDONBQDNA-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.76
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline

N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline (PubChem CID 83961205) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline
PubChem CID83961205
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline
SMILESCCSCc1ccc(NCC2CC2)cc1
InChIInChI=1S/C13H19NS/c1-2-15-10-12-5-7-13(8-6-12)14-9-11-3-4-11/h5-8,11,14H,2-4,9-10H2,1H3
InChIKeyISFYAIDONBQDNA-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Ethyl-p-toluidine
CID 61164
N,N-Dimethyl-4-(2-thiazolidinyl)benzenamine
CID 120774
Benzenamine, N,4-dimethyl-
CID 12165
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
4-(butylamino)-N-[2-(dimethylamino)ethyl]benzenecarbothioamide
CID 53361064
4-Methyl-N-(prop-2-en-1-yl)aniline
CID 246779
N-(2-Ethylhexyl)aniline
CID 61484
4-(Ethylamino)benzenecarbothioamide
CID 3008545
N-Ethyl-4-(dimethylamino)benzylamine
CID 3542461
4-methyl-N-(propan-2-yl)aniline
CID 13331793
N-(4-methylphenyl)-N-[4-(methylsulfanyl)benzyl]amine
CID 834582
2-(4'-Dimethylaminophenyl)-1,3-dithiolane
CID 35777

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline?
The IUPAC name of N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline (CID 83961205) is N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline is CCSCc1ccc(NCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline?
The InChIKey is ISFYAIDONBQDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-15-10-12-5-7-13(8-6-12)14-9-11-3-4-11/h5-8,11,14H,2-4,9-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline?
N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline has a molecular weight of 221.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(ethylsulfanylmethyl)aniline is sourced from PubChem (CID 83961205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).