N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine

C16H25NO3 — CID 62441857

IUPACN-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCCOCCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H25NO3/c1-18-9-2-10-19-11-12-20-16-7-3-14(4-8-16)13-17-15-5-6-15/h3-4,7-8,15,17H,2,5-6,9-13H2,1H3
InChIKeyAKGJRVQMDCWDAD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.37
Rot. Bonds11

About N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine

N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 62441857) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID62441857
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCOCCCOCCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H25NO3/c1-18-9-2-10-19-11-12-20-16-7-3-14(4-8-16)13-17-15-5-6-15/h3-4,7-8,15,17H,2,5-6,9-13H2,1H3
InChIKeyAKGJRVQMDCWDAD-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 106205858
N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009386
N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177897
N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443056
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 103409048
N-[[5-chloro-6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180798
N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107688280
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180751

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine (CID 62441857) is N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine is COCCCOCCOc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is AKGJRVQMDCWDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-9-2-10-19-11-12-20-16-7-3-14(4-8-16)13-17-15-5-6-15/h3-4,7-8,15,17H,2,5-6,9-13H2,1H3.
What are the key properties of N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 279.38 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62441857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).