N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline

C16H21NOS — CID 43693725

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline
SMILESCCCOc1cccc(NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C16H21NOS/c1-4-10-18-15-7-5-6-14(11-15)17-13(3)16-9-8-12(2)19-16/h5-9,11,13,17H,4,10H2,1-3H3
InChIKeyOINSAYNZARMQMM-UHFFFAOYSA-N
MW275.42 g/mol
LogP5.02
Rot. Bonds6

About N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline

N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline (PubChem CID 43693725) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline
PubChem CID43693725
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline
SMILESCCCOc1cccc(NC(C)c2ccc(C)s2)c1
InChIInChI=1S/C16H21NOS/c1-4-10-18-15-7-5-6-14(11-15)17-13(3)16-9-8-12(2)19-16/h5-9,11,13,17H,4,10H2,1-3H3
InChIKeyOINSAYNZARMQMM-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 63449719
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
N-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline
CID 43693690
N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 55012623
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
CID 61333163
2-[1-(3-propoxyanilino)ethyl]benzene-1,4-diol
CID 43693728
N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43095809
N-heptan-2-yl-3-propoxyaniline
CID 43693607
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60935914
3-octoxy-N-propan-2-ylaniline
CID 139718157
2-ethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43191741

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline (CID 43693725) is N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline is CCCOc1cccc(NC(C)c2ccc(C)s2)c1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline?
The InChIKey is OINSAYNZARMQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-10-18-15-7-5-6-14(11-15)17-13(3)16-9-8-12(2)19-16/h5-9,11,13,17H,4,10H2,1-3H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline?
N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline has a molecular weight of 275.42 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-3-propoxyaniline is sourced from PubChem (CID 43693725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).