N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline

C18H21NS — CID 43757286

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline
SMILESCSc1cccc(NC(c2ccc(C)cc2)C2CC2)c1
InChIInChI=1S/C18H21NS/c1-13-6-8-14(9-7-13)18(15-10-11-15)19-16-4-3-5-17(12-16)20-2/h3-9,12,15,18-19H,10-11H2,1-2H3
InChIKeyRZCZRCIOICLXKO-UHFFFAOYSA-N
MW283.44 g/mol
LogP5.28
Rot. Bonds5

About N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline

N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline (PubChem CID 43757286) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline
PubChem CID43757286
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline
SMILESCSc1cccc(NC(c2ccc(C)cc2)C2CC2)c1
InChIInChI=1S/C18H21NS/c1-13-6-8-14(9-7-13)18(15-10-11-15)19-16-4-3-5-17(12-16)20-2/h3-9,12,15,18-19H,10-11H2,1-2H3
InChIKeyRZCZRCIOICLXKO-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline 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

N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759158
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
CID 43765565
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772771
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methoxyphenol
CID 43790697
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-6-fluoroaniline
CID 107598013
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 43757682
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline
CID 43307452
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2,5-difluoroaniline
CID 107609519
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline (CID 43757286) is N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline is CSc1cccc(NC(c2ccc(C)cc2)C2CC2)c1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline?
The InChIKey is RZCZRCIOICLXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-13-6-8-14(9-7-13)18(15-10-11-15)19-16-4-3-5-17(12-16)20-2/h3-9,12,15,18-19H,10-11H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline?
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline has a molecular weight of 283.44 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylsulfanylaniline is sourced from PubChem (CID 43757286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).