N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine

C18H19NO — CID 79347941

IUPACN-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine
SMILESC(=Cc1cccc(Oc2ccccc2)c1)CNC1CC1
InChIInChI=1S/C18H19NO/c1-2-8-17(9-3-1)20-18-10-4-6-15(14-18)7-5-13-19-16-11-12-16/h1-10,14,16,19H,11-13H2
InChIKeyBBEHLSRCWWRWAF-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.24
Rot. Bonds6

About N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine

N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine (PubChem CID 79347941) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine
PubChem CID79347941
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine
SMILESC(=Cc1cccc(Oc2ccccc2)c1)CNC1CC1
InChIInChI=1S/C18H19NO/c1-2-8-17(9-3-1)20-18-10-4-6-15(14-18)7-5-13-19-16-11-12-16/h1-10,14,16,19H,11-13H2
InChIKeyBBEHLSRCWWRWAF-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-nitrophenyl)prop-2-enyl]cyclopropanamine
CID 79347711
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
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N-[3-(3,4-dimethoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347286
N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine
CID 79592096
1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol
CID 142884549
3-(3-phenylprop-2-enylamino)cyclobutan-1-ol
CID 77109911
N-[(E)-3-(3-bromo-4-chlorophenyl)prop-2-enyl]cyclopropanamine
CID 83241851
4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenol
CID 11587340
but-1-enylbenzene;phenoxybenzene
CID 175609674
N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide
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CID 65440151

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine (CID 79347941) is N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine is C(=Cc1cccc(Oc2ccccc2)c1)CNC1CC1.
What is the InChIKey of N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine?
The InChIKey is BBEHLSRCWWRWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-8-17(9-3-1)20-18-10-4-6-15(14-18)7-5-13-19-16-11-12-16/h1-10,14,16,19H,11-13H2.
What are the key properties of N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine?
N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine has a molecular weight of 265.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79347941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).