1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride

C14H17Cl2NO2S — CID 17290121

IUPAC1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1.Cl
InChIInChI=1S/C14H16ClNO2S.ClH/c1-16-8-10-6-12(15)14(13(7-10)17-2)18-9-11-4-3-5-19-11;/h3-7,16H,8-9H2,1-2H3;1H
InChIKeyNQMHEJWSRBPFDE-UHFFFAOYSA-N
MW334.27 g/mol
LogP4.13
Rot. Bonds6

About 1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride

1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride (PubChem CID 17290121) has the molecular formula C14H17Cl2NO2S and a molecular weight of 334.27 g/mol. Its IUPAC name is 1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
PubChem CID17290121
Molecular FormulaC14H17Cl2NO2S
Molecular Weight334.27 g/mol
Exact Mass333.04
IUPAC Name1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1.Cl
InChIInChI=1S/C14H16ClNO2S.ClH/c1-16-8-10-6-12(15)14(13(7-10)17-2)18-9-11-4-3-5-19-11;/h3-7,16H,8-9H2,1-2H3;1H
InChIKeyNQMHEJWSRBPFDE-UHFFFAOYSA-N
XLogP4.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17333153
N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4715962
(2S)-1-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 7248523
N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 2997364
N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]adamantan-1-amine
CID 4721798
(1S)-2-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1-phenylethanol
CID 8637889
1-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60889067
[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-cycloheptylazanium
CID 8637930
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene
CID 63776256
1-[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 60889448
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 17056852
1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60878921

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride (CID 17290121) is 1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride is CNCc1cc(Cl)c(OCc2cccs2)c(OC)c1.Cl.
What is the InChIKey of 1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is NQMHEJWSRBPFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S.ClH/c1-16-8-10-6-12(15)14(13(7-10)17-2)18-9-11-4-3-5-19-11;/h3-7,16H,8-9H2,1-2H3;1H.
What are the key properties of 1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride?
1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 334.27 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 17290121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).