N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine

C16H23NO2 — CID 102940533

IUPACN-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESc1ccc(COCC2(CNC3CC3)CCOC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-4-14(5-3-1)10-19-13-16(8-9-18-12-16)11-17-15-6-7-15/h1-5,15,17H,6-13H2
InChIKeyNVSSRXNGOPBLJA-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.36
Rot. Bonds7

About N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 102940533) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID102940533
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESc1ccc(COCC2(CNC3CC3)CCOC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-4-14(5-3-1)10-19-13-16(8-9-18-12-16)11-17-15-6-7-15/h1-5,15,17H,6-13H2
InChIKeyNVSSRXNGOPBLJA-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Benzyloxy)methyl]pyrrolidine
CID 45075570
2-((Phenylmethoxy)methyl)pyrrolidine
CID 4715279
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CID 7141630
2-(2-(Benzyloxy)ethyl)-3-ethylaziridine
CID 101873075
4-(2-fluorobenzyloxy)-N-(isopropyl)butylamine
CID 21196198
(3R)-3-[(4-fluorophenyl)methoxymethyl]pyrrolidine
CID 60091507
N-[(3S)-5-phenylmethoxypent-1-en-3-yl]-1-prop-2-enylcyclopentan-1-amine
CID 11220292
(7S)-7-(2-phenylmethoxyethyl)-6-azaspiro[4.5]dec-8-ene
CID 11448642
2-Allyl-3-benzyloxypyrrolidine
CID 12810253
2,2-dimethyl-N-(2-phenylmethoxyethyl)pent-4-en-1-amine
CID 86033791
(3R)-N-(cyclohexylmethyl)-5-phenylmethoxypent-1-en-3-amine
CID 134961738
3-{[(4-Fluorophenyl)methoxy]methyl}pyrrolidine
CID 20735290

Frequently Asked Questions

What is the IUPAC name of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 102940533) is N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine is c1ccc(COCC2(CNC3CC3)CCOC2)cc1.
What is the InChIKey of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is NVSSRXNGOPBLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-4-14(5-3-1)10-19-13-16(8-9-18-12-16)11-17-15-6-7-15/h1-5,15,17H,6-13H2.
What are the key properties of N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 261.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102940533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).