1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine

C15H18ClNO2 — CID 62346399

IUPAC1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(Cl)ccc2OC)o1
InChIInChI=1S/C15H18ClNO2/c1-4-11-6-8-14(19-11)15(17-2)12-9-10(16)5-7-13(12)18-3/h5-9,15,17H,4H2,1-3H3
InChIKeyGMTPURLKUZFSBU-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.81
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine

1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine (PubChem CID 62346399) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
PubChem CID62346399
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(Cl)ccc2OC)o1
InChIInChI=1S/C15H18ClNO2/c1-4-11-6-8-14(19-11)15(17-2)12-9-10(16)5-7-13(12)18-3/h5-9,15,17H,4H2,1-3H3
InChIKeyGMTPURLKUZFSBU-UHFFFAOYSA-N
XLogP3.81
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-(5-ethylfuran-2-yl)methanamine
CID 55061748
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 105056762
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
CID 79086034
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(5-ethylfuran-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 79095977
1-(4-chloro-2,5-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 79094310
N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106684608
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
1-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481650
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104545900
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 62791218

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine (CID 62346399) is 1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine is CCc1ccc(C(NC)c2cc(Cl)ccc2OC)o1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The InChIKey is GMTPURLKUZFSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-4-11-6-8-14(19-11)15(17-2)12-9-10(16)5-7-13(12)18-3/h5-9,15,17H,4H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine has a molecular weight of 279.77 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 62346399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).