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

C15H16ClNO2 — CID 62459727

IUPACN-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(OCc2ccoc2CNC2CC2)c1
InChIInChI=1S/C15H16ClNO2/c16-12-2-1-3-14(8-12)19-10-11-6-7-18-15(11)9-17-13-4-5-13/h1-3,6-8,13,17H,4-5,9-10H2
InChIKeyNWIBHCWXTCPNCT-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.76
Rot. Bonds6

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

N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62459727) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62459727
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC NameN-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(OCc2ccoc2CNC2CC2)c1
InChIInChI=1S/C15H16ClNO2/c16-12-2-1-3-14(8-12)19-10-11-6-7-18-15(11)9-17-13-4-5-13/h1-3,6-8,13,17H,4-5,9-10H2
InChIKeyNWIBHCWXTCPNCT-UHFFFAOYSA-N
XLogP3.76
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-ethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62450134
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 55076853
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62449854
N-[[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80729821
N-[[2-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 64602366
N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62452095
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82423081
N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62440737
[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
CID 62459366
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62459727) is N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine is Clc1cccc(OCc2ccoc2CNC2CC2)c1.
What is the InChIKey of N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is NWIBHCWXTCPNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-12-2-1-3-14(8-12)19-10-11-6-7-18-15(11)9-17-13-4-5-13/h1-3,6-8,13,17H,4-5,9-10H2.
What are the key properties of N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 277.75 g/mol, XLogP of 3.76, 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]cyclopropanamine is sourced from PubChem (CID 62459727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).