(3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine

C14H15BrClNOS — CID 103401408

IUPAC(3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
SMILESCCOc1ccc(C(N)c2scc(C)c2Cl)cc1Br
InChIInChI=1S/C14H15BrClNOS/c1-3-18-11-5-4-9(6-10(11)15)13(17)14-12(16)8(2)7-19-14/h4-7,13H,3,17H2,1-2H3
InChIKeyNULKMXHNXRMPQP-UHFFFAOYSA-N
MW360.70 g/mol
LogP4.92
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine

(3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine (PubChem CID 103401408) has the molecular formula C14H15BrClNOS and a molecular weight of 360.70 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
PubChem CID103401408
Molecular FormulaC14H15BrClNOS
Molecular Weight360.70 g/mol
Exact Mass358.97
IUPAC Name(3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
SMILESCCOc1ccc(C(N)c2scc(C)c2Cl)cc1Br
InChIInChI=1S/C14H15BrClNOS/c1-3-18-11-5-4-9(6-10(11)15)13(17)14-12(16)8(2)7-19-14/h4-7,13H,3,17H2,1-2H3
InChIKeyNULKMXHNXRMPQP-UHFFFAOYSA-N
XLogP4.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.70
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine
CID 106684609
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
CID 63797552
N-[(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]propan-1-amine
CID 103400867
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103401154
N-[(5-bromo-2-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103400860
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 103407260
1-[(3-bromo-4-ethoxyphenyl)-chloromethyl]-2-chloro-3-methylbenzene
CID 104661490
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 103401213
(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
CID 104657309
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-ethoxybenzene
CID 104661680

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine (CID 103401408) is (3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine is CCOc1ccc(C(N)c2scc(C)c2Cl)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine?
The InChIKey is NULKMXHNXRMPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNOS/c1-3-18-11-5-4-9(6-10(11)15)13(17)14-12(16)8(2)7-19-14/h4-7,13H,3,17H2,1-2H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine?
(3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine has a molecular weight of 360.70 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 103401408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).