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

C15H18ClNO2 — CID 55076853

IUPACN-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COc1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO2/c1-11(2)17-9-15-12(6-7-18-15)10-19-14-5-3-4-13(16)8-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyPCYLPKISCUMWGX-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.01
Rot. Bonds6

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

N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 55076853) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID55076853
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1COc1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO2/c1-11(2)17-9-15-12(6-7-18-15)10-19-14-5-3-4-13(16)8-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyPCYLPKISCUMWGX-UHFFFAOYSA-N
XLogP4.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62454863
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62459727
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62452883
[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
CID 62459366
N-[[3-[(3-bromo-5-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 81325773
N-[[3-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62485295
N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 114676916
N-[[2-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62458317
1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62485941
N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280848
N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62323756
N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62486443

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine (CID 55076853) is N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1COc1cccc(Cl)c1.
What is the InChIKey of N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is PCYLPKISCUMWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-11(2)17-9-15-12(6-7-18-15)10-19-14-5-3-4-13(16)8-14/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 279.77 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55076853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).