N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine

C16H25NO2 — CID 105350970

IUPACN-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine
SMILESCOCC(C)OCc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(11-18-2)19-12-15-5-3-14(4-6-15)9-10-17-16-7-8-16/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyXQTXKDBBRFFFAT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.53
Rot. Bonds9

About N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine

N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine (PubChem CID 105350970) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine
PubChem CID105350970
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine
SMILESCOCC(C)OCc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(11-18-2)19-12-15-5-3-14(4-6-15)9-10-17-16-7-8-16/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyXQTXKDBBRFFFAT-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
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N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 106598409
4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
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N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 105349289
N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine
CID 105351121
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CID 105350594

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine (CID 105350970) is N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine is COCC(C)OCc1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine?
The InChIKey is XQTXKDBBRFFFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(11-18-2)19-12-15-5-3-14(4-6-15)9-10-17-16-7-8-16/h3-6,13,16-17H,7-12H2,1-2H3.
What are the key properties of N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine?
N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 105350970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).