N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine

C14H16ClNOS — CID 114318984

IUPACN-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCc1ccsc1
InChIInChI=1S/C14H16ClNOS/c1-2-16-8-12-13(15)4-3-5-14(12)17-9-11-6-7-18-10-11/h3-7,10,16H,2,8-9H2,1H3
InChIKeyBGRBEWBYEGDVLP-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.09
Rot. Bonds6

About N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine

N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 114318984) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID114318984
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC NameN-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OCc1ccsc1
InChIInChI=1S/C14H16ClNOS/c1-2-16-8-12-13(15)4-3-5-14(12)17-9-11-6-7-18-10-11/h3-7,10,16H,2,8-9H2,1H3
InChIKeyBGRBEWBYEGDVLP-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059
3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
CID 114320741
[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 114318379
3-[[2-(bromomethyl)-3-chlorophenoxy]methyl]thiophene
CID 114320906
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 114319014
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine
CID 114319001
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
N-[[2-chloro-6-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 114318919
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 114319172
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 114318958
N-[[2-chloro-6-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114319406

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine (CID 114318984) is N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1OCc1ccsc1.
What is the InChIKey of N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is BGRBEWBYEGDVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-2-16-8-12-13(15)4-3-5-14(12)17-9-11-6-7-18-10-11/h3-7,10,16H,2,8-9H2,1H3.
What are the key properties of N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 281.81 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114318984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).