N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine

C15H19NS — CID 170865988

IUPACN,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine
SMILESCN(C)CCCc1ccccc1-c1ccsc1
InChIInChI=1S/C15H19NS/c1-16(2)10-5-7-13-6-3-4-8-15(13)14-9-11-17-12-14/h3-4,6,8-9,11-12H,5,7,10H2,1-2H3
InChIKeyWYPHHSRVHJJSEG-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.91
Rot. Bonds5

About N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine

N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine (PubChem CID 170865988) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine
PubChem CID170865988
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine
SMILESCN(C)CCCc1ccccc1-c1ccsc1
InChIInChI=1S/C15H19NS/c1-16(2)10-5-7-13-6-3-4-8-15(13)14-9-11-17-12-14/h3-4,6,8-9,11-12H,5,7,10H2,1-2H3
InChIKeyWYPHHSRVHJJSEG-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine (CID 170865988) is N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine is CN(C)CCCc1ccccc1-c1ccsc1.
What is the InChIKey of N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine?
The InChIKey is WYPHHSRVHJJSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-16(2)10-5-7-13-6-3-4-8-15(13)14-9-11-17-12-14/h3-4,6,8-9,11-12H,5,7,10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine?
N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-thiophen-3-ylphenyl)propan-1-amine is sourced from PubChem (CID 170865988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).