N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine

C15H17Cl2NOS — CID 29225207

IUPACN-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCCCOc1c(Cl)cc(Cl)cc1CNCc1cccs1
InChIInChI=1S/C15H17Cl2NOS/c1-2-5-19-15-11(7-12(16)8-14(15)17)9-18-10-13-4-3-6-20-13/h3-4,6-8,18H,2,5,9-10H2,1H3
InChIKeyHXBLYCZOFBARSD-UHFFFAOYSA-N
MW330.28 g/mol
LogP5.13
Rot. Bonds7

About N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine

N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 29225207) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID29225207
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC NameN-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCCCOc1c(Cl)cc(Cl)cc1CNCc1cccs1
InChIInChI=1S/C15H17Cl2NOS/c1-2-5-19-15-11(7-12(16)8-14(15)17)9-18-10-13-4-3-6-20-13/h3-4,6-8,18H,2,5,9-10H2,1H3
InChIKeyHXBLYCZOFBARSD-UHFFFAOYSA-N
XLogP5.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.28
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60889067
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 29228055
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241701
N-[[3-chloro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 115953152
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 29225362
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 29225270
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
1-(3-bromo-4-propoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 29222692
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
CID 64552689
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine (CID 29225207) is N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine is CCCOc1c(Cl)cc(Cl)cc1CNCc1cccs1.
What is the InChIKey of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is HXBLYCZOFBARSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-2-5-19-15-11(7-12(16)8-14(15)17)9-18-10-13-4-3-6-20-13/h3-4,6-8,18H,2,5,9-10H2,1H3.
What are the key properties of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine?
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 330.28 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 29225207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).