1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine

C14H23NS — CID 65132386

IUPAC1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine
SMILESCNC(CSC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C14H23NS/c1-14(2,3)16-11-13(15-4)10-12-8-6-5-7-9-12/h5-9,13,15H,10-11H2,1-4H3
InChIKeyFANSYNFAMUPRDC-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.35
Rot. Bonds5

About 1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine

1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine (PubChem CID 65132386) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine
PubChem CID65132386
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine
SMILESCNC(CSC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C14H23NS/c1-14(2,3)16-11-13(15-4)10-12-8-6-5-7-9-12/h5-9,13,15H,10-11H2,1-4H3
InChIKeyFANSYNFAMUPRDC-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 65132723
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
CID 105084518
1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine
CID 66160792
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
2-benzyl-3-tert-butylsulfanyl-N-(2-oxopropyl)propanamide
CID 58581908
1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321783
[1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105226349
1-N-(2,4-dimethylpentan-2-yl)-2-N-methyl-3-phenylpropane-1,2-diamine
CID 142211003
1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 65133020
1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65127961
ethane;3-(methylamino)-4-phenylbutanal
CID 91231416
acetaldehyde;N-methyl-1-phenylbutan-2-amine
CID 156726962

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine (CID 65132386) is 1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine is CNC(CSC(C)(C)C)Cc1ccccc1.
What is the InChIKey of 1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine?
The InChIKey is FANSYNFAMUPRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-14(2,3)16-11-13(15-4)10-12-8-6-5-7-9-12/h5-9,13,15H,10-11H2,1-4H3.
What are the key properties of 1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine?
1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine is sourced from PubChem (CID 65132386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).