N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine

C16H25NO — CID 66899598

IUPACN-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine
SMILESCCc1ccc(CCCOC)cc1CNC1CC1
InChIInChI=1S/C16H25NO/c1-3-14-7-6-13(5-4-10-18-2)11-15(14)12-17-16-8-9-16/h6-7,11,16-17H,3-5,8-10,12H2,1-2H3
InChIKeyKDOIHXFAOVZVNR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.08
Rot. Bonds8

About N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine

N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine (PubChem CID 66899598) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine
PubChem CID66899598
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine
SMILESCCc1ccc(CCCOC)cc1CNC1CC1
InChIInChI=1S/C16H25NO/c1-3-14-7-6-13(5-4-10-18-2)11-15(14)12-17-16-8-9-16/h6-7,11,16-17H,3-5,8-10,12H2,1-2H3
InChIKeyKDOIHXFAOVZVNR-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine
CID 174738442
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
3-[(cyclopropylamino)methyl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524810
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate
CID 67148684
N-[(2-butyl-4,5-dimethoxyphenyl)methyl]cyclopropanamine
CID 106659132
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine (CID 66899598) is N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine is CCc1ccc(CCCOC)cc1CNC1CC1.
What is the InChIKey of N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine?
The InChIKey is KDOIHXFAOVZVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-14-7-6-13(5-4-10-18-2)11-15(14)12-17-16-8-9-16/h6-7,11,16-17H,3-5,8-10,12H2,1-2H3.
What are the key properties of N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine?
N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66899598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).