N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

C16H21ClN2O2 — CID 64600076

IUPACN-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1oc(CNCC(C)C)cc1COc1cncc(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-11(2)6-18-9-16-4-13(12(3)21-16)10-20-15-5-14(17)7-19-8-15/h4-5,7-8,11,18H,6,9-10H2,1-3H3
InChIKeyWTJPXWNLBSKZBX-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.96
Rot. Bonds7

About N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 64600076) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID64600076
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1oc(CNCC(C)C)cc1COc1cncc(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-11(2)6-18-9-16-4-13(12(3)21-16)10-20-15-5-14(17)7-19-8-15/h4-5,7-8,11,18H,6,9-10H2,1-3H3
InChIKeyWTJPXWNLBSKZBX-UHFFFAOYSA-N
XLogP3.96
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 64601067
2-methyl-N-[[5-methyl-4-(propan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62455407
N-[[4-[(3,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 63496300
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55072922
N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63490736
2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451623
N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601790
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243
N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601599
N-[[4-[3-(dimethylamino)propoxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459346
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391526
2-methyl-N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62425019

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (CID 64600076) is N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is Cc1oc(CNCC(C)C)cc1COc1cncc(Cl)c1.
What is the InChIKey of N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is WTJPXWNLBSKZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11(2)6-18-9-16-4-13(12(3)21-16)10-20-15-5-14(17)7-19-8-15/h4-5,7-8,11,18H,6,9-10H2,1-3H3.
What are the key properties of N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 308.81 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64600076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).