N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine

C18H26ClNO — CID 65124443

IUPACN-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)(OCc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H26ClNO/c1-14-7-9-18(10-8-14,13-20-17-5-6-17)21-12-15-3-2-4-16(19)11-15/h2-4,11,14,17,20H,5-10,12-13H2,1H3
InChIKeyWRAXXNZJVNKDQM-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.56
Rot. Bonds6

About N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 65124443) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID65124443
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)(OCc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H26ClNO/c1-14-7-9-18(10-8-14,13-20-17-5-6-17)21-12-15-3-2-4-16(19)11-15/h2-4,11,14,17,20H,5-10,12-13H2,1H3
InChIKeyWRAXXNZJVNKDQM-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine (CID 65124443) is N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine is CC1CCC(CNC2CC2)(OCc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is WRAXXNZJVNKDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-14-7-9-18(10-8-14,13-20-17-5-6-17)21-12-15-3-2-4-16(19)11-15/h2-4,11,14,17,20H,5-10,12-13H2,1H3.
What are the key properties of N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 307.86 g/mol, XLogP of 4.56, 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]-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 65124443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).