(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine

C14H15BrClNOS — CID 102828054

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2cc(Br)c(Cl)s2)c1
InChIInChI=1S/C14H15BrClNOS/c1-2-6-18-10-5-3-4-9(7-10)13(17)12-8-11(15)14(16)19-12/h3-5,7-8,13H,2,6,17H2,1H3
InChIKeyRHBKLZAUUDSQMM-UHFFFAOYSA-N
MW360.70 g/mol
LogP5.00
Rot. Bonds5

About (4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine

(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine (PubChem CID 102828054) has the molecular formula C14H15BrClNOS and a molecular weight of 360.70 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
PubChem CID102828054
Molecular FormulaC14H15BrClNOS
Molecular Weight360.70 g/mol
Exact Mass358.97
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2cc(Br)c(Cl)s2)c1
InChIInChI=1S/C14H15BrClNOS/c1-2-6-18-10-5-3-4-9(7-10)13(17)12-8-11(15)14(16)19-12/h3-5,7-8,13H,2,6,17H2,1H3
InChIKeyRHBKLZAUUDSQMM-UHFFFAOYSA-N
XLogP5.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.70
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 62921378
(4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine
CID 102828102
(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
CID 80535665
(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine
CID 62499814
(4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine
CID 105026739
N-[(5-chloro-4-methylthiophen-2-yl)-(3-propoxyphenyl)methyl]ethanamine
CID 102763929
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
3-bromo-2-[chloro-(3-propoxyphenyl)methyl]thiophene
CID 80535853

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine (CID 102828054) is (4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(N)c2cc(Br)c(Cl)s2)c1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine?
The InChIKey is RHBKLZAUUDSQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNOS/c1-2-6-18-10-5-3-4-9(7-10)13(17)12-8-11(15)14(16)19-12/h3-5,7-8,13H,2,6,17H2,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine?
(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine has a molecular weight of 360.70 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 102828054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).