N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine

C16H20ClNO2 — CID 106684318

IUPACN-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(C)c1)c1ccc(Cl)o1
InChIInChI=1S/C16H20ClNO2/c1-4-9-18-16(14-7-8-15(17)20-14)12-5-6-13(19-3)11(2)10-12/h5-8,10,16,18H,4,9H2,1-3H3
InChIKeyWMNZHZWAIYGBFT-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.34
Rot. Bonds6

About N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine

N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine (PubChem CID 106684318) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
PubChem CID106684318
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(C)c1)c1ccc(Cl)o1
InChIInChI=1S/C16H20ClNO2/c1-4-9-18-16(14-7-8-15(17)20-14)12-5-6-13(19-3)11(2)10-12/h5-8,10,16,18H,4,9H2,1-3H3
InChIKeyWMNZHZWAIYGBFT-UHFFFAOYSA-N
XLogP4.34
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106684608
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202
N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 106693326
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177
N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 106684288
1-(4-methoxy-3-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984206
N-[(4-bromo-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792566
N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 106684326
1-(5-ethylfuran-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 79095977
N-[(3-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 65237089
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876
N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63210049

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine (CID 106684318) is N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)c(C)c1)c1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is WMNZHZWAIYGBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-4-9-18-16(14-7-8-15(17)20-14)12-5-6-13(19-3)11(2)10-12/h5-8,10,16,18H,4,9H2,1-3H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 293.79 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106684318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).