5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine

C17H24N2OS — CID 103388543

IUPAC5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C17H24N2OS/c1-20-13-15(9-5-11-18)19-17(16-10-6-12-21-16)14-7-3-2-4-8-14/h2-4,6-8,10,12,15,17,19H,5,9,11,13,18H2,1H3
InChIKeyADXZCZROPPAGAL-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.18
Rot. Bonds9

About 5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine

5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine (PubChem CID 103388543) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine
PubChem CID103388543
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C17H24N2OS/c1-20-13-15(9-5-11-18)19-17(16-10-6-12-21-16)14-7-3-2-4-8-14/h2-4,6-8,10,12,15,17,19H,5,9,11,13,18H2,1H3
InChIKeyADXZCZROPPAGAL-UHFFFAOYSA-N
XLogP3.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine
CID 103388167
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]ethanamine
CID 113220352
5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine
CID 103389871
2-[[phenyl(thiophen-2-yl)methyl]amino]butanoic acid
CID 115352761
5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390524
[phenyl(thiophen-2-yl)methyl]hydrazine
CID 53403118
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
CID 66172307
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 103387010
1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine
CID 115707556

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine (CID 103388543) is 5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine is COCC(CCCN)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine?
The InChIKey is ADXZCZROPPAGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-20-13-15(9-5-11-18)19-17(16-10-6-12-21-16)14-7-3-2-4-8-14/h2-4,6-8,10,12,15,17,19H,5,9,11,13,18H2,1H3.
What are the key properties of 5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine?
5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 103388543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).