N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine

C17H22ClNO2 — CID 62443396

IUPACN-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine
SMILESCc1oc(COCc2ccccc2Cl)cc1CNC(C)C
InChIInChI=1S/C17H22ClNO2/c1-12(2)19-9-15-8-16(21-13(15)3)11-20-10-14-6-4-5-7-17(14)18/h4-8,12,19H,9-11H2,1-3H3
InChIKeyNXIPWBIMFRBEOJ-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.46
Rot. Bonds7

About N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine

N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine (PubChem CID 62443396) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine
PubChem CID62443396
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine
SMILESCc1oc(COCc2ccccc2Cl)cc1CNC(C)C
InChIInChI=1S/C17H22ClNO2/c1-12(2)19-9-15-8-16(21-13(15)3)11-20-10-14-6-4-5-7-17(14)18/h4-8,12,19H,9-11H2,1-3H3
InChIKeyNXIPWBIMFRBEOJ-UHFFFAOYSA-N
XLogP4.46
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62445515
N-[[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 82957504
N-[[2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 63647388
N-[[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62458167
1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 63937390
N-[[2-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62455543
N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954081
N-[[4-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62443740
N-[[2-methyl-5-[(2-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-2-amine
CID 62445863
4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 63586474
N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444645
N-[[5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 114676848

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine (CID 62443396) is N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine is Cc1oc(COCc2ccccc2Cl)cc1CNC(C)C.
What is the InChIKey of N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
The InChIKey is NXIPWBIMFRBEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-12(2)19-9-15-8-16(21-13(15)3)11-20-10-14-6-4-5-7-17(14)18/h4-8,12,19H,9-11H2,1-3H3.
What are the key properties of N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine?
N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine has a molecular weight of 307.82 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62443396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).