N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

C16H20ClNO2 — CID 62452669

IUPACN-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1occc1COc1ccccc1Cl
InChIInChI=1S/C16H20ClNO2/c1-12(2)9-18-10-16-13(7-8-19-16)11-20-15-6-4-3-5-14(15)17/h3-8,12,18H,9-11H2,1-2H3
InChIKeyNEQWFCQFBJJDEA-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.26
Rot. Bonds7

About N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62452669) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62452669
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1occc1COc1ccccc1Cl
InChIInChI=1S/C16H20ClNO2/c1-12(2)9-18-10-16-13(7-8-19-16)11-20-15-6-4-3-5-14(15)17/h3-8,12,18H,9-11H2,1-2H3
InChIKeyNEQWFCQFBJJDEA-UHFFFAOYSA-N
XLogP4.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63491123
N-[[3-(cyclohexyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62445379
N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62458623
2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441488
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604
2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62456618
N-[[2-[(2,4-dibromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64712467
N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62485295
N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452440
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62452095
N-[[3-[(2,6-dimethoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62451814

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (CID 62452669) is N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1occc1COc1ccccc1Cl.
What is the InChIKey of N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NEQWFCQFBJJDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-12(2)9-18-10-16-13(7-8-19-16)11-20-15-6-4-3-5-14(15)17/h3-8,12,18H,9-11H2,1-2H3.
What are the key properties of N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.79 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62452669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).