N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine

C15H19NOS — CID 170867177

IUPACN,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine
SMILESCN(C)CCCc1sccc1Oc1ccccc1
InChIInChI=1S/C15H19NOS/c1-16(2)11-6-9-15-14(10-12-18-15)17-13-7-4-3-5-8-13/h3-5,7-8,10,12H,6,9,11H2,1-2H3
InChIKeyCZSKWSCEDUQNBT-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.03
Rot. Bonds6

About N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine

N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine (PubChem CID 170867177) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine
PubChem CID170867177
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine
SMILESCN(C)CCCc1sccc1Oc1ccccc1
InChIInChI=1S/C15H19NOS/c1-16(2)11-6-9-15-14(10-12-18-15)17-13-7-4-3-5-8-13/h3-5,7-8,10,12H,6,9,11H2,1-2H3
InChIKeyCZSKWSCEDUQNBT-UHFFFAOYSA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine (CID 170867177) is N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine is CN(C)CCCc1sccc1Oc1ccccc1.
What is the InChIKey of N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine?
The InChIKey is CZSKWSCEDUQNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-16(2)11-6-9-15-14(10-12-18-15)17-13-7-4-3-5-8-13/h3-5,7-8,10,12H,6,9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine?
N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-phenoxythiophen-2-yl)propan-1-amine is sourced from PubChem (CID 170867177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).