(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine

C14H16BrNOS — CID 63797040

IUPAC(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(C(N)c2sccc2Br)cc1
InChIInChI=1S/C14H16BrNOS/c1-9(2)17-11-5-3-10(4-6-11)13(16)14-12(15)7-8-18-14/h3-9,13H,16H2,1-2H3
InChIKeyXXUVGRQVCCJRIM-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.35
Rot. Bonds4

About (3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine

(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 63797040) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine
PubChem CID63797040
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(C(N)c2sccc2Br)cc1
InChIInChI=1S/C14H16BrNOS/c1-9(2)17-11-5-3-10(4-6-11)13(16)14-12(15)7-8-18-14/h3-9,13H,16H2,1-2H3
InChIKeyXXUVGRQVCCJRIM-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 80534844
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 63798442
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
CID 63797552
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
[(3-bromothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330543

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine (CID 63797040) is (3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccc(C(N)c2sccc2Br)cc1.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is XXUVGRQVCCJRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-9(2)17-11-5-3-10(4-6-11)13(16)14-12(15)7-8-18-14/h3-9,13H,16H2,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine?
(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 326.26 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 63797040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).