N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine

C15H23NO2 — CID 114996272

IUPACN-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine
SMILESCOc1ccc(COC(C)CCNC2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-12(9-10-16-14-5-6-14)18-11-13-3-7-15(17-2)8-4-13/h3-4,7-8,12,14,16H,5-6,9-11H2,1-2H3
InChIKeyUOXLKNRQPGFCQF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds8

About N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine

N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine (PubChem CID 114996272) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine
PubChem CID114996272
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine
SMILESCOc1ccc(COC(C)CCNC2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-12(9-10-16-14-5-6-14)18-11-13-3-7-15(17-2)8-4-13/h3-4,7-8,12,14,16H,5-6,9-11H2,1-2H3
InChIKeyUOXLKNRQPGFCQF-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine
CID 105350970
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435033
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 61420561

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine?
The IUPAC name of N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine (CID 114996272) is N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine?
The canonical SMILES for N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine is COc1ccc(COC(C)CCNC2CC2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine?
The InChIKey is UOXLKNRQPGFCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(9-10-16-14-5-6-14)18-11-13-3-7-15(17-2)8-4-13/h3-4,7-8,12,14,16H,5-6,9-11H2,1-2H3.
What are the key properties of N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine?
N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine has a molecular weight of 249.35 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine is sourced from PubChem (CID 114996272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).