N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine

C15H18BrNOS — CID 43493887

IUPACN-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cc(Br)ccc1OC
InChIInChI=1S/C15H18BrNOS/c1-3-7-17-15(11-6-8-19-10-11)13-9-12(16)4-5-14(13)18-2/h4-6,8-10,15,17H,3,7H2,1-2H3
InChIKeyHNZBJQZMEKHBAY-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.61
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine

N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 43493887) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID43493887
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cc(Br)ccc1OC
InChIInChI=1S/C15H18BrNOS/c1-3-7-17-15(11-6-8-19-10-11)13-9-12(16)4-5-14(13)18-2/h4-6,8-10,15,17H,3,7H2,1-2H3
InChIKeyHNZBJQZMEKHBAY-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 107960800
N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43496041
N-[(5-bromo-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820042
N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 82808330
N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494415
3-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene
CID 63435890
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
N-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43493888
N-[(4-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 82770851
N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792512
N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 106857785
N-[(3-bromo-4-methoxyphenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 105010525

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine (CID 43493887) is N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)c1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is HNZBJQZMEKHBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-7-17-15(11-6-8-19-10-11)13-9-12(16)4-5-14(13)18-2/h4-6,8-10,15,17H,3,7H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 340.29 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 43493887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).