N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine

C14H16ClNO2 — CID 55071098

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCOc1ccc(Cl)cc1CNCc1ccc(C)o1
InChIInChI=1S/C14H16ClNO2/c1-10-3-5-13(18-10)9-16-8-11-7-12(15)4-6-14(11)17-2/h3-7,16H,8-9H2,1-2H3
InChIKeyUCQQSPZIYHHCGB-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.54
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine (PubChem CID 55071098) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
PubChem CID55071098
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCOc1ccc(Cl)cc1CNCc1ccc(C)o1
InChIInChI=1S/C14H16ClNO2/c1-10-3-5-13(18-10)9-16-8-11-7-12(15)4-6-14(11)17-2/h3-7,16H,8-9H2,1-2H3
InChIKeyUCQQSPZIYHHCGB-UHFFFAOYSA-N
XLogP3.54
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 104663860
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 60695369
2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222884
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208246
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 60962067
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115844818
1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43406541

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine (CID 55071098) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine is COc1ccc(Cl)cc1CNCc1ccc(C)o1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is UCQQSPZIYHHCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10-3-5-13(18-10)9-16-8-11-7-12(15)4-6-14(11)17-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 265.74 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 55071098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).