N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine

C17H24ClNO — CID 65124979

IUPACN-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine
SMILESClc1cccc(COC2(CNC3CC3)CCCCC2)c1
InChIInChI=1S/C17H24ClNO/c18-15-6-4-5-14(11-15)12-20-17(9-2-1-3-10-17)13-19-16-7-8-16/h4-6,11,16,19H,1-3,7-10,12-13H2
InChIKeyCJCGTTSXXXVMNS-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.31
Rot. Bonds6

About N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine

N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine (PubChem CID 65124979) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine
PubChem CID65124979
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine
SMILESClc1cccc(COC2(CNC3CC3)CCCCC2)c1
InChIInChI=1S/C17H24ClNO/c18-15-6-4-5-14(11-15)12-20-17(9-2-1-3-10-17)13-19-16-7-8-16/h4-6,11,16,19H,1-3,7-10,12-13H2
InChIKeyCJCGTTSXXXVMNS-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 65124443
N-[[1-[(3-chlorophenyl)methoxy]cyclopentyl]methyl]ethanamine
CID 65124397
N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine
CID 63934652
N-[[1-[(3-chlorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 65124692
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125325
N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009010
1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 28530508
3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine
CID 66349861
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine (CID 65124979) is N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine is Clc1cccc(COC2(CNC3CC3)CCCCC2)c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is CJCGTTSXXXVMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-15-6-4-5-14(11-15)12-20-17(9-2-1-3-10-17)13-19-16-7-8-16/h4-6,11,16,19H,1-3,7-10,12-13H2.
What are the key properties of N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine?
N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 293.84 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 65124979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).