3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine

C11H19NOS — CID 62715454

IUPAC3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCCOCCCNCc1cccs1
InChIInChI=1S/C11H19NOS/c1-2-7-13-8-4-6-12-10-11-5-3-9-14-11/h3,5,9,12H,2,4,6-8,10H2,1H3
InChIKeyBFQKXTQOVRIQGP-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.65
Rot. Bonds8

About 3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine

3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 62715454) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID62715454
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCCOCCCNCc1cccs1
InChIInChI=1S/C11H19NOS/c1-2-7-13-8-4-6-12-10-11-5-3-9-14-11/h3,5,9,12H,2,4,6-8,10H2,1H3
InChIKeyBFQKXTQOVRIQGP-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine 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-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106306185
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881
N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
CID 82941408
N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82940867
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62597441
3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106306224
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39361592
2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 106512489

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine (CID 62715454) is 3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine is CCCOCCCNCc1cccs1.
What is the InChIKey of 3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is BFQKXTQOVRIQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-2-7-13-8-4-6-12-10-11-5-3-9-14-11/h3,5,9,12H,2,4,6-8,10H2,1H3.
What are the key properties of 3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62715454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).