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

C14H16ClNOS — CID 112609295

IUPACN-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCc1cccs1
InChIInChI=1S/C14H16ClNOS/c1-2-16-9-11-5-3-7-13(15)14(11)17-10-12-6-4-8-18-12/h3-8,16H,2,9-10H2,1H3
InChIKeyQLPZJSRRQFWNQN-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.09
Rot. Bonds6

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

N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 112609295) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID112609295
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC NameN-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1OCc1cccs1
InChIInChI=1S/C14H16ClNOS/c1-2-16-9-11-5-3-7-13(15)14(11)17-10-12-6-4-8-18-12/h3-8,16H,2,9-10H2,1H3
InChIKeyQLPZJSRRQFWNQN-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-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609256
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[[3-chloro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 115953152
N-[[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952900
N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115953026
N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4715962
N-[[3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609244
N-[[3-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 112609309
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
1-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60889067
N-[[3-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609400
N-[[3-chloro-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 115952991

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine (CID 112609295) is N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(Cl)c1OCc1cccs1.
What is the InChIKey of N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is QLPZJSRRQFWNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-2-16-9-11-5-3-7-13(15)14(11)17-10-12-6-4-8-18-12/h3-8,16H,2,9-10H2,1H3.
What are the key properties of N-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine?
N-[[3-chloro-2-(thiophen-2-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-[[3-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 112609295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).