2-benzylsulfanyl-1-naphthalen-1-ylethanamine

C19H19NS — CID 64619248

IUPAC2-benzylsulfanyl-1-naphthalen-1-ylethanamine
SMILESNC(CSCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H19NS/c20-19(14-21-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19H,13-14,20H2
InChIKeySLBITWDBKWZAPG-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.77
Rot. Bonds5

About 2-benzylsulfanyl-1-naphthalen-1-ylethanamine

2-benzylsulfanyl-1-naphthalen-1-ylethanamine (PubChem CID 64619248) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-benzylsulfanyl-1-naphthalen-1-ylethanamine
PubChem CID64619248
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name2-benzylsulfanyl-1-naphthalen-1-ylethanamine
SMILESNC(CSCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H19NS/c20-19(14-21-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19H,13-14,20H2
InChIKeySLBITWDBKWZAPG-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-2-propylsulfanylethanamine
CID 64614496
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine
CID 64613898
2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
CID 64627941
1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332636
(2R)-2-amino-3-benzylsulfanylpropane-1-thiol
CID 121215749
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine
CID 84752961
2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102
3-benzylsulfanyl-2-(benzylsulfanylmethyl)propan-1-amine
CID 134882341
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
2-ethylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65128258

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-benzylsulfanyl-1-naphthalen-1-ylethanamine (CID 64619248) is 2-benzylsulfanyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-benzylsulfanyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-benzylsulfanyl-1-naphthalen-1-ylethanamine is NC(CSCc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-benzylsulfanyl-1-naphthalen-1-ylethanamine?
The InChIKey is SLBITWDBKWZAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c20-19(14-21-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,19H,13-14,20H2.
What are the key properties of 2-benzylsulfanyl-1-naphthalen-1-ylethanamine?
2-benzylsulfanyl-1-naphthalen-1-ylethanamine has a molecular weight of 293.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 64619248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).