N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline

C19H25NS — CID 43759154

IUPACN-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline
SMILESCSc1ccc(NC(C)CC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C19H25NS/c1-15(20-17-10-12-18(21-4)13-11-17)14-19(2,3)16-8-6-5-7-9-16/h5-13,15,20H,14H2,1-4H3
InChIKeyGFSIRXQIYNHRLM-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.58
Rot. Bonds6

About N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline

N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline (PubChem CID 43759154) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline
PubChem CID43759154
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline
SMILESCSc1ccc(NC(C)CC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C19H25NS/c1-15(20-17-10-12-18(21-4)13-11-17)14-19(2,3)16-8-6-5-7-9-16/h5-13,15,20H,14H2,1-4H3
InChIKeyGFSIRXQIYNHRLM-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773231
3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43764409
N-(5-methylhexan-2-yl)-4-methylsulfanylaniline
CID 43110507
3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773347
3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile
CID 43762494
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 65468772
3-fluoro-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 63455215
(3R,5R)-5-anilino-2,3-dimethylhexan-3-ol
CID 11543104
N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine
CID 15533676
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
2-N,2-N,2-trimethyl-4-N-phenylpentane-2,4-diamine
CID 13185865

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline?
The IUPAC name of N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline (CID 43759154) is N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline.
What is the SMILES notation for N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline?
The canonical SMILES for N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline is CSc1ccc(NC(C)CC(C)(C)c2ccccc2)cc1.
What is the InChIKey of N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline?
The InChIKey is GFSIRXQIYNHRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-15(20-17-10-12-18(21-4)13-11-17)14-19(2,3)16-8-6-5-7-9-16/h5-13,15,20H,14H2,1-4H3.
What are the key properties of N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline?
N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline has a molecular weight of 299.48 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline is sourced from PubChem (CID 43759154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).