N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine

C18H27NO — CID 66322051

IUPACN-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
SMILESCc1ccc(C(CNC2CC2)OCC2CCCC2)cc1
InChIInChI=1S/C18H27NO/c1-14-6-8-16(9-7-14)18(12-19-17-10-11-17)20-13-15-4-2-3-5-15/h6-9,15,17-19H,2-5,10-13H2,1H3
InChIKeyLZHBHWPIOYIGKT-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.99
Rot. Bonds7

About N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine

N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine (PubChem CID 66322051) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
PubChem CID66322051
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
SMILESCc1ccc(C(CNC2CC2)OCC2CCCC2)cc1
InChIInChI=1S/C18H27NO/c1-14-6-8-16(9-7-14)18(12-19-17-10-11-17)20-13-15-4-2-3-5-15/h6-9,15,17-19H,2-5,10-13H2,1H3
InChIKeyLZHBHWPIOYIGKT-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-1-(cyclopentylmethoxy)ethyl]-4-methylbenzene
CID 66321621
N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62106890
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
CID 66321628
2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine
CID 66323116
N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 106667054
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine
CID 66322694
2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 66322023
N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine
CID 62111242
2-(cyclohexylmethoxy)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 62384236
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine (CID 66322051) is N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine is Cc1ccc(C(CNC2CC2)OCC2CCCC2)cc1.
What is the InChIKey of N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine?
The InChIKey is LZHBHWPIOYIGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-6-8-16(9-7-14)18(12-19-17-10-11-17)20-13-15-4-2-3-5-15/h6-9,15,17-19H,2-5,10-13H2,1H3.
What are the key properties of N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine?
N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 66322051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).