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

C13H14ClNOS — CID 79419514

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1cc(Cl)cs1
InChIInChI=1S/C13H14ClNOS/c1-16-13-5-3-2-4-10(13)7-15-8-12-6-11(14)9-17-12/h2-6,9,15H,7-8H2,1H3
InChIKeyHVVRDRFINQPSHX-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.70
Rot. Bonds5

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

N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine (PubChem CID 79419514) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
PubChem CID79419514
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1cc(Cl)cs1
InChIInChI=1S/C13H14ClNOS/c1-16-13-5-3-2-4-10(13)7-15-8-12-6-11(14)9-17-12/h2-6,9,15H,7-8H2,1H3
InChIKeyHVVRDRFINQPSHX-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 107165782
1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
CID 79420026
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208325
1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine
CID 115634848
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
1-(4-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanol
CID 79427096
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine (CID 79419514) is N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CNCc1cc(Cl)cs1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The InChIKey is HVVRDRFINQPSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-16-13-5-3-2-4-10(13)7-15-8-12-6-11(14)9-17-12/h2-6,9,15H,7-8H2,1H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine?
N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyphenyl)methanamine has a molecular weight of 267.78 g/mol, XLogP of 3.70, 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-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 79419514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).