2-benzyl-3-thiophen-2-ylpropane-1,2-diamine

C14H18N2S — CID 57074689

IUPAC2-benzyl-3-thiophen-2-ylpropane-1,2-diamine
SMILESNCC(N)(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C14H18N2S/c15-11-14(16,10-13-7-4-8-17-13)9-12-5-2-1-3-6-12/h1-8H,9-11,15-16H2
InChIKeyRVSRISRMELPPJN-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.19
Rot. Bonds5

About 2-benzyl-3-thiophen-2-ylpropane-1,2-diamine

2-benzyl-3-thiophen-2-ylpropane-1,2-diamine (PubChem CID 57074689) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-benzyl-3-thiophen-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-benzyl-3-thiophen-2-ylpropane-1,2-diamine
PubChem CID57074689
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-benzyl-3-thiophen-2-ylpropane-1,2-diamine
SMILESNCC(N)(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C14H18N2S/c15-11-14(16,10-13-7-4-8-17-13)9-12-5-2-1-3-6-12/h1-8H,9-11,15-16H2
InChIKeyRVSRISRMELPPJN-UHFFFAOYSA-N
XLogP2.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14577055
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2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol
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2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
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1-benzyl-2-(thiophen-2-ylmethyl)hydrazine
CID 90764446
2-methyl-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 55149935
2,5-bis(1-phenyl-2-thiophen-2-ylpropan-2-yl)thiophene
CID 10907031
2-(2,2-difluoro-2-iodoethyl)thiophene
CID 175168405
2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-thiophen-2-ylpropane-1,2-diamine?
The IUPAC name of 2-benzyl-3-thiophen-2-ylpropane-1,2-diamine (CID 57074689) is 2-benzyl-3-thiophen-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-benzyl-3-thiophen-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-benzyl-3-thiophen-2-ylpropane-1,2-diamine is NCC(N)(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of 2-benzyl-3-thiophen-2-ylpropane-1,2-diamine?
The InChIKey is RVSRISRMELPPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c15-11-14(16,10-13-7-4-8-17-13)9-12-5-2-1-3-6-12/h1-8H,9-11,15-16H2.
What are the key properties of 2-benzyl-3-thiophen-2-ylpropane-1,2-diamine?
2-benzyl-3-thiophen-2-ylpropane-1,2-diamine has a molecular weight of 246.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-thiophen-2-ylpropane-1,2-diamine is sourced from PubChem (CID 57074689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).