N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine

C17H29NS — CID 107763433

IUPACN,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine
SMILESCNC(c1ccccc1)C(SC(C)C(C)C)C(C)C
InChIInChI=1S/C17H29NS/c1-12(2)14(5)19-17(13(3)4)16(18-6)15-10-8-7-9-11-15/h7-14,16-18H,1-6H3
InChIKeyWDRNATAYCSXVQC-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.75
Rot. Bonds7

About N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine

N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine (PubChem CID 107763433) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine
PubChem CID107763433
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine
SMILESCNC(c1ccccc1)C(SC(C)C(C)C)C(C)C
InChIInChI=1S/C17H29NS/c1-12(2)14(5)19-17(13(3)4)16(18-6)15-10-8-7-9-11-15/h7-14,16-18H,1-6H3
InChIKeyWDRNATAYCSXVQC-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
N,3-dimethyl-1-phenyl-2-thiophen-2-ylsulfanylbutan-1-amine
CID 64612750
N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-amine
CID 64628599
2-(3-chlorophenyl)sulfanyl-N,3-dimethyl-1-phenylbutan-1-amine
CID 64633706
N,3-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-amine
CID 64619465
N,3-dimethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 106927798
N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 64619331
2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine
CID 64614445
N-methyl-1-phenyl-2-pyridin-4-ylpropan-1-amine
CID 66446573
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
2-butan-2-ylsulfanyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64613003
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine?
The IUPAC name of N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine (CID 107763433) is N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine is CNC(c1ccccc1)C(SC(C)C(C)C)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine?
The InChIKey is WDRNATAYCSXVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-12(2)14(5)19-17(13(3)4)16(18-6)15-10-8-7-9-11-15/h7-14,16-18H,1-6H3.
What are the key properties of N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine?
N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 107763433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).