N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine

C16H27NS — CID 115664548

IUPACN-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NS/c1-15(2,3)14-9-7-13(8-10-14)11-17-12-16(4,5)18-6/h7-10,17H,11-12H2,1-6H3
InChIKeyDVJACTVICIPVAE-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.22
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine

N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine (PubChem CID 115664548) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
PubChem CID115664548
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NS/c1-15(2,3)14-9-7-13(8-10-14)11-17-12-16(4,5)18-6/h7-10,17H,11-12H2,1-6H3
InChIKeyDVJACTVICIPVAE-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664551
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
CID 104756449
N'-hydroxy-4-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]benzenecarboximidamide
CID 113478920
N-[(4-tert-butylphenyl)methyl]-3-chloro-2,2-dimethylpropan-1-amine
CID 115363530
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-2-methylsulfanylpropan-1-amine
CID 113245808
1-(4-tert-butylphenyl)-N-trimethylsilylmethanamine
CID 91727232
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867
1-(4-tert-butylphenyl)-N-iodomethanamine
CID 139343163
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664412
4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline
CID 101478316
4-[[(4-tert-butylphenyl)methylamino]methyl]benzonitrile
CID 60776869

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine (CID 115664548) is N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine is CSC(C)(C)CNCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The InChIKey is DVJACTVICIPVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-15(2,3)14-9-7-13(8-10-14)11-17-12-16(4,5)18-6/h7-10,17H,11-12H2,1-6H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115664548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).