2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine

C18H16BrNS — CID 64613898

IUPAC2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine
SMILESNC(CSc1ccc(Br)cc1)c1cccc2ccccc12
InChIInChI=1S/C18H16BrNS/c19-14-8-10-15(11-9-14)21-12-18(20)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,18H,12,20H2
InChIKeyIWODGINIRRNEDL-UHFFFAOYSA-N
MW358.30 g/mol
LogP5.39
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine

2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine (PubChem CID 64613898) has the molecular formula C18H16BrNS and a molecular weight of 358.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine
PubChem CID64613898
Molecular FormulaC18H16BrNS
Molecular Weight358.30 g/mol
Exact Mass357.02
IUPAC Name2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine
SMILESNC(CSc1ccc(Br)cc1)c1cccc2ccccc12
InChIInChI=1S/C18H16BrNS/c19-14-8-10-15(11-9-14)21-12-18(20)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,18H,12,20H2
InChIKeyIWODGINIRRNEDL-UHFFFAOYSA-N
XLogP5.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.30
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-isoquinolin-5-ylethanamine
CID 66055100
1-isoquinolin-8-yl-2-phenylsulfanylethanamine
CID 103137237
(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine
CID 22806370
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-4-ylethanamine
CID 66143984
2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433633
2-(4-bromophenyl)sulfanyl-1-isoquinolin-4-ylethanol
CID 66056672
[(4-bromophenyl)-naphthalen-1-ylmethyl]hydrazine
CID 105192517
2-benzylsulfanyl-1-naphthalen-1-ylethanamine
CID 64619248
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 66056474
1-naphthalen-1-yl-2-propylsulfanylethanamine
CID 64614496
2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 64610927
2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229127

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine (CID 64613898) is 2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine is NC(CSc1ccc(Br)cc1)c1cccc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine?
The InChIKey is IWODGINIRRNEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNS/c19-14-8-10-15(11-9-14)21-12-18(20)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,18H,12,20H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine?
2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine has a molecular weight of 358.30 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 64613898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).