N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine

C13H17NOS — CID 63000081

IUPACN-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1ccoc1)c1cccs1
InChIInChI=1S/C13H17NOS/c1-10(2)13(12-4-3-7-16-12)14-8-11-5-6-15-9-11/h3-7,9-10,13-14H,8H2,1-2H3
InChIKeyGTJUVRVVPCQYKS-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.83
Rot. Bonds5

About N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine

N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 63000081) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID63000081
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1ccoc1)c1cccs1
InChIInChI=1S/C13H17NOS/c1-10(2)13(12-4-3-7-16-12)14-8-11-5-6-15-9-11/h3-7,9-10,13-14H,8H2,1-2H3
InChIKeyGTJUVRVVPCQYKS-UHFFFAOYSA-N
XLogP3.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089294
N-(furan-3-ylmethyl)-2-methylpentan-3-amine
CID 63000846
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 79002812
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide
CID 43760203
2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 61284440
N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79419287
N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115711445
N-(furan-3-ylmethyl)-1-phenylethanamine
CID 42773967
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107042287
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 63000081) is N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCc1ccoc1)c1cccs1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is GTJUVRVVPCQYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10(2)13(12-4-3-7-16-12)14-8-11-5-6-15-9-11/h3-7,9-10,13-14H,8H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63000081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).