N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

C13H19N3OS — CID 81124888

IUPACN-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1OC)c1nccn1C
InChIInChI=1S/C13H19N3OS/c1-4-6-14-11(13-15-7-8-16(13)2)12-10(17-3)5-9-18-12/h5,7-9,11,14H,4,6H2,1-3H3
InChIKeyMBLBUNPFSQQKIA-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.58
Rot. Bonds6

About N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 81124888) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID81124888
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1OC)c1nccn1C
InChIInChI=1S/C13H19N3OS/c1-4-6-14-11(13-15-7-8-16(13)2)12-10(17-3)5-9-18-12/h5,7-9,11,14H,4,6H2,1-3H3
InChIKeyMBLBUNPFSQQKIA-UHFFFAOYSA-N
XLogP2.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(3-methoxy-4-pyridinyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 105064351
N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143617
N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127501
N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115859772
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974744
N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105010612
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105041706
N-[(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 107130279
N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 61318763

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 81124888) is N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1OC)c1nccn1C.
What is the InChIKey of N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is MBLBUNPFSQQKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-4-6-14-11(13-15-7-8-16(13)2)12-10(17-3)5-9-18-12/h5,7-9,11,14H,4,6H2,1-3H3.
What are the key properties of N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81124888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).