(4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine

C14H14BrNOS — CID 114521727

IUPAC(4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine
SMILESNC(c1cccc(OC2CC2)c1)c1cc(Br)cs1
InChIInChI=1S/C14H14BrNOS/c15-10-7-13(18-8-10)14(16)9-2-1-3-12(6-9)17-11-4-5-11/h1-3,6-8,11,14H,4-5,16H2
InChIKeyYWLPQEBULUDTSO-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.10
Rot. Bonds4

About (4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine

(4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine (PubChem CID 114521727) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine
PubChem CID114521727
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name(4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine
SMILESNC(c1cccc(OC2CC2)c1)c1cc(Br)cs1
InChIInChI=1S/C14H14BrNOS/c15-10-7-13(18-8-10)14(16)9-2-1-3-12(6-9)17-11-4-5-11/h1-3,6-8,11,14H,4-5,16H2
InChIKeyYWLPQEBULUDTSO-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyloxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 105051653
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine
CID 114521611
(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
CID 114521500
[(4-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]hydrazine
CID 105192579
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
(3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 103216448
(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105051741
(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 115838494
(3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 105051931
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
(3-cyclopropyloxyphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 114522053

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine?
The IUPAC name of (4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine (CID 114521727) is (4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine.
What is the SMILES notation for (4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine?
The canonical SMILES for (4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine is NC(c1cccc(OC2CC2)c1)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine?
The InChIKey is YWLPQEBULUDTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c15-10-7-13(18-8-10)14(16)9-2-1-3-12(6-9)17-11-4-5-11/h1-3,6-8,11,14H,4-5,16H2.
What are the key properties of (4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine?
(4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine has a molecular weight of 324.24 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine is sourced from PubChem (CID 114521727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).