2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine

C14H23NS — CID 63807537

IUPAC2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine
SMILESCC(C)Sc1ccccc1CNC(C)(C)C
InChIInChI=1S/C14H23NS/c1-11(2)16-13-9-7-6-8-12(13)10-15-14(3,4)5/h6-9,11,15H,10H2,1-5H3
InChIKeyMCAZLBMOJMWWRZ-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.08
Rot. Bonds4

About 2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine

2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine (PubChem CID 63807537) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine
PubChem CID63807537
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine
SMILESCC(C)Sc1ccccc1CNC(C)(C)C
InChIInChI=1S/C14H23NS/c1-11(2)16-13-9-7-6-8-12(13)10-15-14(3,4)5/h6-9,11,15H,10H2,1-5H3
InChIKeyMCAZLBMOJMWWRZ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-(2-methylbutylsulfanyl)phenyl]methyl]propan-2-amine
CID 107761708
N-[[2-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63807824
N-[[2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63809395
tert-butyl 2-[2-[(tert-butylamino)methyl]phenyl]sulfanylacetate
CID 116687821
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63805075
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62426149
1-butyl-2-propan-2-ylsulfanylbenzene
CID 142056517
methyl 2-(2-propan-2-ylsulfanylphenyl)acetate
CID 67952900
N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine
CID 107761549
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine (CID 63807537) is 2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine is CC(C)Sc1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine?
The InChIKey is MCAZLBMOJMWWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(2)16-13-9-7-6-8-12(13)10-15-14(3,4)5/h6-9,11,15H,10H2,1-5H3.
What are the key properties of 2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine?
2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63807537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).