1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

C14H16ClNO2 — CID 105006756

IUPAC1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1ccc(C)o1
InChIInChI=1S/C14H16ClNO2/c1-9-4-7-12(18-9)14(16-2)10-5-6-11(15)13(8-10)17-3/h4-8,14,16H,1-3H3
InChIKeyUNFYTIKVOLXHIE-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (PubChem CID 105006756) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
PubChem CID105006756
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1ccc(C)o1
InChIInChI=1S/C14H16ClNO2/c1-9-4-7-12(18-9)14(16-2)10-5-6-11(15)13(8-10)17-3/h4-8,14,16H,1-3H3
InChIKeyUNFYTIKVOLXHIE-UHFFFAOYSA-N
XLogP3.56
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 43487598
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105006971
N-methyl-1-(5-methylfuran-2-yl)-1-phenylmethanamine
CID 43481483
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006891
1-(4-bromo-2-chlorophenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006762
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 79697755
1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43481405
1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105007159
1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 105007156
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 79700135

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (CID 105006756) is 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is CNC(c1ccc(Cl)c(OC)c1)c1ccc(C)o1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is UNFYTIKVOLXHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-4-7-12(18-9)14(16-2)10-5-6-11(15)13(8-10)17-3/h4-8,14,16H,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 265.74 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 105006756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).