2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine

C16H27NS — CID 107761708

IUPAC2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCCC(C)CSc1ccccc1CNC(C)(C)C
InChIInChI=1S/C16H27NS/c1-6-13(2)12-18-15-10-8-7-9-14(15)11-17-16(3,4)5/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyYZILODMJRNCMTE-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.71
Rot. Bonds6

About 2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine

2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine (PubChem CID 107761708) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
PubChem CID107761708
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCCC(C)CSc1ccccc1CNC(C)(C)C
InChIInChI=1S/C16H27NS/c1-6-13(2)12-18-15-10-8-7-9-14(15)11-17-16(3,4)5/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyYZILODMJRNCMTE-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63807537
N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63807824
tert-butyl 2-[2-[(tert-butylamino)methyl]phenyl]sulfanylacetate
CID 116687821
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190
N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805324
N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63809395
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55192514
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
CID 63809900
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62433557
N-[(2-benzylsulfanyl-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 114863931
2-methyl-N-[[2-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 102987023
ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine (CID 107761708) is 2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine is CCC(C)CSc1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine?
The InChIKey is YZILODMJRNCMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-6-13(2)12-18-15-10-8-7-9-14(15)11-17-16(3,4)5/h7-10,13,17H,6,11-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107761708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).