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

C14H16BrNS — CID 63796873

IUPAC(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2sccc2Br)cc1
InChIInChI=1S/C14H16BrNS/c1-9(2)10-3-5-11(6-4-10)13(16)14-12(15)7-8-17-14/h3-9,13H,16H2,1-2H3
InChIKeyURZPGJQIDYCAAY-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.68
Rot. Bonds3

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

(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 63796873) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
PubChem CID63796873
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2sccc2Br)cc1
InChIInChI=1S/C14H16BrNS/c1-9(2)10-3-5-11(6-4-10)13(16)14-12(15)7-8-17-14/h3-9,13H,16H2,1-2H3
InChIKeyURZPGJQIDYCAAY-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105
(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 63797040
(3-bromothiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 80534844
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 63798442
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
CID 63797552
(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80534984
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844263
(3-bromothiophen-2-yl)-(5-bromothiophen-2-yl)methanamine
CID 63798269
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950
(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 171230637

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine (CID 63796873) is (3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(C(N)c2sccc2Br)cc1.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is URZPGJQIDYCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-9(2)10-3-5-11(6-4-10)13(16)14-12(15)7-8-17-14/h3-9,13H,16H2,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine?
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 310.26 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 63796873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).