N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine

C14H19NO2 — CID 103066708

IUPACN-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COc1ccc(OC)cc1
InChIInChI=1S/C14H19NO2/c1-11(9-15-12-3-4-12)10-17-14-7-5-13(16-2)6-8-14/h5-8,12,15H,1,3-4,9-10H2,2H3
InChIKeyVTOMWMKQAZNXEQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds7

About N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine

N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103066708) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
PubChem CID103066708
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COc1ccc(OC)cc1
InChIInChI=1S/C14H19NO2/c1-11(9-15-12-3-4-12)10-17-14-7-5-13(16-2)6-8-14/h5-8,12,15H,1,3-4,9-10H2,2H3
InChIKeyVTOMWMKQAZNXEQ-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Cicloprolol
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H 87-07
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N-butyl-4-phenoxy-1-butanamine
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[2-(4-Methoxy-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
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[3-(2-Allyl-phenoxy)-propyl]-isopropyl-amine
CID 10657300
N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride
CID 16735705
(E)-3-fluoro-4-(4-methoxyphenoxy)but-2-en-1-amine
CID 42624091
4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 182336

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine (CID 103066708) is N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COc1ccc(OC)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is VTOMWMKQAZNXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(9-15-12-3-4-12)10-17-14-7-5-13(16-2)6-8-14/h5-8,12,15H,1,3-4,9-10H2,2H3.
What are the key properties of N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine?
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 233.31 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103066708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).