N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine

C16H20ClNO2S — CID 60882838

IUPACN-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCC)c1OCc1ccc(Cl)s1
InChIInChI=1S/C16H20ClNO2S/c1-3-18-10-12-6-5-7-14(19-4-2)16(12)20-11-13-8-9-15(17)21-13/h5-9,18H,3-4,10-11H2,1-2H3
InChIKeyYJAVGCRZCPVMNF-UHFFFAOYSA-N
MW325.86 g/mol
LogP4.49
Rot. Bonds8

About N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine

N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine (PubChem CID 60882838) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
PubChem CID60882838
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC NameN-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCC)c1OCc1ccc(Cl)s1
InChIInChI=1S/C16H20ClNO2S/c1-3-18-10-12-6-5-7-14(19-4-2)16(12)20-11-13-8-9-15(17)21-13/h5-9,18H,3-4,10-11H2,1-2H3
InChIKeyYJAVGCRZCPVMNF-UHFFFAOYSA-N
XLogP4.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine 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

N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
CID 60882456
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
CID 43366790
1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17206090
N-[[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 63500605
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
CID 60882840
1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60881705
1-[3-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390194
N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43278943

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine (CID 60882838) is N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine is CCNCc1cccc(OCC)c1OCc1ccc(Cl)s1.
What is the InChIKey of N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine?
The InChIKey is YJAVGCRZCPVMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S/c1-3-18-10-12-6-5-7-14(19-4-2)16(12)20-11-13-8-9-15(17)21-13/h5-9,18H,3-4,10-11H2,1-2H3.
What are the key properties of N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine?
N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine has a molecular weight of 325.86 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 60882838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).