N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine

C18H27NO — CID 62107393

IUPACN-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCC(OC1(CNC2CC2)CCCCC1)c1ccccc1
InChIInChI=1S/C18H27NO/c1-15(16-8-4-2-5-9-16)20-18(12-6-3-7-13-18)14-19-17-10-11-17/h2,4-5,8-9,15,17,19H,3,6-7,10-14H2,1H3
InChIKeyXLBMYNFSYTUNDD-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.22
Rot. Bonds6

About N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine

N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 62107393) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID62107393
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCC(OC1(CNC2CC2)CCCCC1)c1ccccc1
InChIInChI=1S/C18H27NO/c1-15(16-8-4-2-5-9-16)20-18(12-6-3-7-13-18)14-19-17-10-11-17/h2,4-5,8-9,15,17,19H,3,6-7,10-14H2,1H3
InChIKeyXLBMYNFSYTUNDD-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-methyl-1-(1-phenylethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474271
N-[[1-(3-methylbutoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036334
N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine
CID 63934652
N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 63512101
N-[(4-methyl-1-propan-2-yloxycyclohexyl)methyl]cyclopropanamine
CID 62106421
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine
CID 65124979
N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 115953564
1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
CID 63476043

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine (CID 62107393) is N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine is CC(OC1(CNC2CC2)CCCCC1)c1ccccc1.
What is the InChIKey of N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is XLBMYNFSYTUNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-15(16-8-4-2-5-9-16)20-18(12-6-3-7-13-18)14-19-17-10-11-17/h2,4-5,8-9,15,17,19H,3,6-7,10-14H2,1H3.
What are the key properties of N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine?
N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 62107393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).