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

C14H16ClNOS — CID 107165782

IUPACN-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cc(Cl)cs1
InChIInChI=1S/C14H16ClNOS/c1-17-14-5-3-2-4-11(14)6-7-16-9-13-8-12(15)10-18-13/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeyJOVLFAABVQORBE-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.74
Rot. Bonds6

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

N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine (PubChem CID 107165782) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
PubChem CID107165782
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cc(Cl)cs1
InChIInChI=1S/C14H16ClNOS/c1-17-14-5-3-2-4-11(14)6-7-16-9-13-8-12(15)10-18-13/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeyJOVLFAABVQORBE-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 79419514
1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
CID 79420026
2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206586
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 106259683
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207350
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 110652277
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530888
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine (CID 107165782) is N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CCNCc1cc(Cl)cs1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine?
The InChIKey is JOVLFAABVQORBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-17-14-5-3-2-4-11(14)6-7-16-9-13-8-12(15)10-18-13/h2-5,8,10,16H,6-7,9H2,1H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine?
N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine has a molecular weight of 281.81 g/mol, XLogP of 3.74, 6 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]-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 107165782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).