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

C10H16ClNOS — CID 106306185

IUPAC3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESClCCOCCCNCc1cccs1
InChIInChI=1S/C10H16ClNOS/c11-4-7-13-6-2-5-12-9-10-3-1-8-14-10/h1,3,8,12H,2,4-7,9H2
InChIKeyVHFDUTAMYNIVNK-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.48
Rot. Bonds8

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

3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 106306185) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID106306185
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESClCCOCCCNCc1cccs1
InChIInChI=1S/C10H16ClNOS/c11-4-7-13-6-2-5-12-9-10-3-1-8-14-10/h1,3,8,12H,2,4-7,9H2
InChIKeyVHFDUTAMYNIVNK-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106306224
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
CID 17213960
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 62565169
3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine
CID 106306177
2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62572494
4-[[3-(2-chloroethoxy)propylamino]methyl]phenol
CID 106306165
3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 106306185) is 3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is ClCCOCCCNCc1cccs1.
What is the InChIKey of 3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is VHFDUTAMYNIVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c11-4-7-13-6-2-5-12-9-10-3-1-8-14-10/h1,3,8,12H,2,4-7,9H2.
What are the key properties of 3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 233.76 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106306185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).