N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

C14H16ClNOS — CID 54898237

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2ccc(Cl)s2)c1
InChIInChI=1S/C14H16ClNOS/c1-17-10-12-4-2-3-11(7-12)8-16-9-13-5-6-14(15)18-13/h2-7,16H,8-10H2,1H3
InChIKeyPTARYFFXSQKFPP-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.84
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (PubChem CID 54898237) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
PubChem CID54898237
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2ccc(Cl)s2)c1
InChIInChI=1S/C14H16ClNOS/c1-17-10-12-4-2-3-11(7-12)8-16-9-13-5-6-14(15)18-13/h2-7,16H,8-10H2,1H3
InChIKeyPTARYFFXSQKFPP-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
N-[(5-chlorothiophen-2-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60743977
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 102834709
N-[(4-bromo-3-chlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103581569
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
N-[(2,4-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 60976282
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62347076
1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine
CID 54896316
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 60711247
N-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 47021684
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (CID 54898237) is N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is COCc1cccc(CNCc2ccc(Cl)s2)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The InChIKey is PTARYFFXSQKFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-17-10-12-4-2-3-11(7-12)8-16-9-13-5-6-14(15)18-13/h2-7,16H,8-10H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine has a molecular weight of 281.81 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 54898237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).