N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine

C15H18ClNO2S — CID 105007145

IUPACN-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1sccc1OC
InChIInChI=1S/C15H18ClNO2S/c1-4-17-14(15-12(18-2)7-8-20-15)10-5-6-11(16)13(9-10)19-3/h5-9,14,17H,4H2,1-3H3
InChIKeyRKXOYPNQKQQILA-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.12
Rot. Bonds6

About N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine

N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 105007145) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID105007145
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1sccc1OC
InChIInChI=1S/C15H18ClNO2S/c1-4-17-14(15-12(18-2)7-8-20-15)10-5-6-11(16)13(9-10)19-3/h5-9,14,17H,4H2,1-3H3
InChIKeyRKXOYPNQKQQILA-UHFFFAOYSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372
N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115851457
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105164507
N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81128008
N-[(4-chloro-3-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 105007128
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 80529194
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127501
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105006810
(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105006834
N-[(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 107130279

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine (CID 105007145) is N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)c(OC)c1)c1sccc1OC.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is RKXOYPNQKQQILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-4-17-14(15-12(18-2)7-8-20-15)10-5-6-11(16)13(9-10)19-3/h5-9,14,17H,4H2,1-3H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine?
N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 311.83 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 105007145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).