N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine

C13H13Cl2NO2 — CID 4723222

IUPACN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESCOc1c(Cl)cc(Cl)cc1CNCc1ccco1
InChIInChI=1S/C13H13Cl2NO2/c1-17-13-9(5-10(14)6-12(13)15)7-16-8-11-3-2-4-18-11/h2-6,16H,7-8H2,1H3
InChIKeyROHUGCLFRQDYLR-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.88
Rot. Bonds5

About N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 4723222) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
PubChem CID4723222
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESCOc1c(Cl)cc(Cl)cc1CNCc1ccco1
InChIInChI=1S/C13H13Cl2NO2/c1-17-13-9(5-10(14)6-12(13)15)7-16-8-11-3-2-4-18-11/h2-6,16H,7-8H2,1H3
InChIKeyROHUGCLFRQDYLR-UHFFFAOYSA-N
XLogP3.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 62572364
N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 66160828
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2996897
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 17158546
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294438
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
CID 43689281
2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957133
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 4723130
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 4723923
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331643
2-[(2,4,6-trichlorophenoxy)methyl]furan
CID 53443486

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine (CID 4723222) is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine is COc1c(Cl)cc(Cl)cc1CNCc1ccco1.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is ROHUGCLFRQDYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c1-17-13-9(5-10(14)6-12(13)15)7-16-8-11-3-2-4-18-11/h2-6,16H,7-8H2,1H3.
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 286.16 g/mol, XLogP of 3.88, 5 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-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 4723222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).