1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine

C14H18N2S — CID 57170440

IUPAC1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine
SMILESCc1ccsc1C(N)C(C)(N)c1ccccc1
InChIInChI=1S/C14H18N2S/c1-10-8-9-17-12(10)13(15)14(2,16)11-6-4-3-5-7-11/h3-9,13H,15-16H2,1-2H3
InChIKeyRRRMHLGYJGKTOG-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.93
Rot. Bonds3

About 1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine

1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine (PubChem CID 57170440) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine
PubChem CID57170440
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine
SMILESCc1ccsc1C(N)C(C)(N)c1ccccc1
InChIInChI=1S/C14H18N2S/c1-10-8-9-17-12(10)13(15)14(2,16)11-6-4-3-5-7-11/h3-9,13H,15-16H2,1-2H3
InChIKeyRRRMHLGYJGKTOG-UHFFFAOYSA-N
XLogP2.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine (CID 57170440) is 1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine is Cc1ccsc1C(N)C(C)(N)c1ccccc1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine?
The InChIKey is RRRMHLGYJGKTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-8-9-17-12(10)13(15)14(2,16)11-6-4-3-5-7-11/h3-9,13H,15-16H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine?
1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine has a molecular weight of 246.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 57170440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).