N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine

C17H22ClNO2 — CID 63490596

IUPACN-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(OCc2cc(C)c(CNC(C)C)o2)ccc1Cl
InChIInChI=1S/C17H22ClNO2/c1-11(2)19-9-17-13(4)8-15(21-17)10-20-14-5-6-16(18)12(3)7-14/h5-8,11,19H,9-10H2,1-4H3
InChIKeyPORHEQHGDKIAFP-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.63
Rot. Bonds6

About N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine

N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 63490596) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID63490596
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(OCc2cc(C)c(CNC(C)C)o2)ccc1Cl
InChIInChI=1S/C17H22ClNO2/c1-11(2)19-9-17-13(4)8-15(21-17)10-20-14-5-6-16(18)12(3)7-14/h5-8,11,19H,9-10H2,1-4H3
InChIKeyPORHEQHGDKIAFP-UHFFFAOYSA-N
XLogP4.63
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63497884
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 55077027
N-[[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62453750
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 106450107
N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 82808168
N-[[5-[(4-chloro-3-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63490768
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62445758
N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62454694
N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62449858
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62453746
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 64730648

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine (CID 63490596) is N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine is Cc1cc(OCc2cc(C)c(CNC(C)C)o2)ccc1Cl.
What is the InChIKey of N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is PORHEQHGDKIAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-11(2)19-9-17-13(4)8-15(21-17)10-20-14-5-6-16(18)12(3)7-14/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 307.82 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63490596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).