1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine

C17H16BrNS — CID 105139176

IUPAC1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine
SMILESNC(Cc1cc(Br)cs1)Cc1cccc2ccccc12
InChIInChI=1S/C17H16BrNS/c18-14-9-16(20-11-14)10-15(19)8-13-6-3-5-12-4-1-2-7-17(12)13/h1-7,9,11,15H,8,10,19H2
InChIKeyUBGBDZCLVRLEPF-UHFFFAOYSA-N
MW346.29 g/mol
LogP4.78
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine

1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine (PubChem CID 105139176) has the molecular formula C17H16BrNS and a molecular weight of 346.29 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine
PubChem CID105139176
Molecular FormulaC17H16BrNS
Molecular Weight346.29 g/mol
Exact Mass345.02
IUPAC Name1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine
SMILESNC(Cc1cc(Br)cs1)Cc1cccc2ccccc12
InChIInChI=1S/C17H16BrNS/c18-14-9-16(20-11-14)10-15(19)8-13-6-3-5-12-4-1-2-7-17(12)13/h1-7,9,11,15H,8,10,19H2
InChIKeyUBGBDZCLVRLEPF-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one
CID 105092415
[2-(4-bromothiophen-2-yl)-1-naphthalen-1-ylethyl]hydrazine
CID 105213280
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1-(2-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)propan-2-amine
CID 66143479
1-(4,5-dibromothiophen-2-yl)-2-naphthalen-1-ylethanamine
CID 80536710
1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine
CID 62602168
1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 55145225
2-bromo-4-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965768
2-(2-aminobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylaniline
CID 63816850
2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine
CID 63222511
2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66037859

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine (CID 105139176) is 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine is NC(Cc1cc(Br)cs1)Cc1cccc2ccccc12.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine?
The InChIKey is UBGBDZCLVRLEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNS/c18-14-9-16(20-11-14)10-15(19)8-13-6-3-5-12-4-1-2-7-17(12)13/h1-7,9,11,15H,8,10,19H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine?
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine has a molecular weight of 346.29 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine is sourced from PubChem (CID 105139176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).