N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine

C16H18ClNO2 — CID 65125603

IUPACN-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(COCc2cc(CNC3CC3)co2)cc1
InChIInChI=1S/C16H18ClNO2/c17-14-3-1-12(2-4-14)9-19-11-16-7-13(10-20-16)8-18-15-5-6-15/h1-4,7,10,15,18H,5-6,8-9,11H2
InChIKeyXXWUSPDHEULZTN-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.90
Rot. Bonds7

About N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine

N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 65125603) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID65125603
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(COCc2cc(CNC3CC3)co2)cc1
InChIInChI=1S/C16H18ClNO2/c17-14-3-1-12(2-4-14)9-19-11-16-7-13(10-20-16)8-18-15-5-6-15/h1-4,7,10,15,18H,5-6,8-9,11H2
InChIKeyXXWUSPDHEULZTN-UHFFFAOYSA-N
XLogP3.90
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-bromophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 82831319
N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125367
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62485051
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62460736
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 112589813
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
N-[[5-(3-methylbut-3-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 114470626
N-[[5-[(2-chloro-4-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62673103
N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 76943781
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine (CID 65125603) is N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine is Clc1ccc(COCc2cc(CNC3CC3)co2)cc1.
What is the InChIKey of N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is XXWUSPDHEULZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-14-3-1-12(2-4-14)9-19-11-16-7-13(10-20-16)8-18-15-5-6-15/h1-4,7,10,15,18H,5-6,8-9,11H2.
What are the key properties of N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 291.78 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65125603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).