N-(5-methylhexan-2-yl)-4-methylsulfanylaniline

C14H23NS — CID 43110507

IUPACN-(5-methylhexan-2-yl)-4-methylsulfanylaniline
SMILESCSc1ccc(NC(C)CCC(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11(2)5-6-12(3)15-13-7-9-14(16-4)10-8-13/h7-12,15H,5-6H2,1-4H3
InChIKeyYHWOOHPTWCOFRT-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.65
Rot. Bonds6

About N-(5-methylhexan-2-yl)-4-methylsulfanylaniline

N-(5-methylhexan-2-yl)-4-methylsulfanylaniline (PubChem CID 43110507) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-4-methylsulfanylaniline
PubChem CID43110507
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-(5-methylhexan-2-yl)-4-methylsulfanylaniline
SMILESCSc1ccc(NC(C)CCC(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11(2)5-6-12(3)15-13-7-9-14(16-4)10-8-13/h7-12,15H,5-6H2,1-4H3
InChIKeyYHWOOHPTWCOFRT-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
4-methylsulfanyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116533990
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine;1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
CID 19805826
N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline
CID 43759154
N-(5-methylhexan-2-yl)-4-[4-[4-(5-methylhexan-2-ylamino)phenoxy]butoxy]aniline
CID 70605379
5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine
CID 55245786
3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine
CID 43193079
[4-methyl-1-(4-methylsulfanylphenyl)pentyl]hydrazine
CID 105294254
N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline
CID 43732186
4-fluoro-3-methyl-N-(5-methylhexan-2-yl)aniline
CID 63478411
N-methyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43683632
4-N-(5-methylhexan-2-yl)-1-N-[4-[4-[4-(5-methylhexan-2-ylamino)anilino]-N-propan-2-ylanilino]phenyl]benzene-1,4-diamine
CID 170570801

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-4-methylsulfanylaniline?
The IUPAC name of N-(5-methylhexan-2-yl)-4-methylsulfanylaniline (CID 43110507) is N-(5-methylhexan-2-yl)-4-methylsulfanylaniline.
What is the SMILES notation for N-(5-methylhexan-2-yl)-4-methylsulfanylaniline?
The canonical SMILES for N-(5-methylhexan-2-yl)-4-methylsulfanylaniline is CSc1ccc(NC(C)CCC(C)C)cc1.
What is the InChIKey of N-(5-methylhexan-2-yl)-4-methylsulfanylaniline?
The InChIKey is YHWOOHPTWCOFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(2)5-6-12(3)15-13-7-9-14(16-4)10-8-13/h7-12,15H,5-6H2,1-4H3.
What are the key properties of N-(5-methylhexan-2-yl)-4-methylsulfanylaniline?
N-(5-methylhexan-2-yl)-4-methylsulfanylaniline has a molecular weight of 237.41 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-4-methylsulfanylaniline is sourced from PubChem (CID 43110507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).