N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine

C18H26ClNO — CID 63475552

IUPACN-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine
SMILESCC1CCCC(OC(CNC2CC2)c2ccccc2Cl)C1
InChIInChI=1S/C18H26ClNO/c1-13-5-4-6-15(11-13)21-18(12-20-14-9-10-14)16-7-2-3-8-17(16)19/h2-3,7-8,13-15,18,20H,4-6,9-12H2,1H3
InChIKeyCHXHVRIXRGWSFZ-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.73
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine

N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine (PubChem CID 63475552) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine
PubChem CID63475552
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine
SMILESCC1CCCC(OC(CNC2CC2)c2ccccc2Cl)C1
InChIInChI=1S/C18H26ClNO/c1-13-5-4-6-15(11-13)21-18(12-20-14-9-10-14)16-7-2-3-8-17(16)19/h2-3,7-8,13-15,18,20H,4-6,9-12H2,1H3
InChIKeyCHXHVRIXRGWSFZ-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine (CID 63475552) is N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine is CC1CCCC(OC(CNC2CC2)c2ccccc2Cl)C1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine?
The InChIKey is CHXHVRIXRGWSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-13-5-4-6-15(11-13)21-18(12-20-14-9-10-14)16-7-2-3-8-17(16)19/h2-3,7-8,13-15,18,20H,4-6,9-12H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine?
N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine has a molecular weight of 307.86 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine is sourced from PubChem (CID 63475552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).