N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine

C14H16ClNOS — CID 79427378

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C14H16ClNOS/c1-10(11-3-5-13(17-2)6-4-11)16-8-14-7-12(15)9-18-14/h3-7,9-10,16H,8H2,1-2H3
InChIKeySZRBMMODZRSIAM-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.26
Rot. Bonds5

About N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine

N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 79427378) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID79427378
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C14H16ClNOS/c1-10(11-3-5-13(17-2)6-4-11)16-8-14-7-12(15)9-18-14/h3-7,9-10,16H,8H2,1-2H3
InChIKeySZRBMMODZRSIAM-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81352477
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 79419624
4-[1-[(4-chlorothiophen-2-yl)methylamino]ethyl]benzonitrile
CID 79420315
N-[(4-chlorothiophen-2-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 79419866
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654
(1S)-N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836707
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 79427378) is N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCc2cc(Cl)cs2)cc1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is SZRBMMODZRSIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-10(11-3-5-13(17-2)6-4-11)16-8-14-7-12(15)9-18-14/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 281.81 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 79427378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).