[2-(3-phenoxyphenyl)cyclopropyl]methanamine

C16H17NO — CID 62708512

IUPAC[2-(3-phenoxyphenyl)cyclopropyl]methanamine
SMILESNCC1CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H17NO/c17-11-13-10-16(13)12-5-4-8-15(9-12)18-14-6-2-1-3-7-14/h1-9,13,16H,10-11,17H2
InChIKeyQCEBAMWGKWQYPD-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.54
Rot. Bonds4

About [2-(3-phenoxyphenyl)cyclopropyl]methanamine

[2-(3-phenoxyphenyl)cyclopropyl]methanamine (PubChem CID 62708512) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is [2-(3-phenoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-(3-phenoxyphenyl)cyclopropyl]methanamine
PubChem CID62708512
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name[2-(3-phenoxyphenyl)cyclopropyl]methanamine
SMILESNCC1CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H17NO/c17-11-13-10-16(13)12-5-4-8-15(9-12)18-14-6-2-1-3-7-14/h1-9,13,16H,10-11,17H2
InChIKeyQCEBAMWGKWQYPD-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708916
3-[(2R)-2-(aminomethyl)cyclopropyl]phenol
CID 105432221
[2-(3-ethynylphenyl)cyclopropyl]methanamine
CID 75074269
(2-naphthalen-2-ylcyclopropyl)methanamine;hydrochloride
CID 68926193
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 68924561
2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 139707086
[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 94557656
[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 94557654
3-[(1R,2R)-2-(aminomethyl)cyclopropyl]benzonitrile
CID 94556811
[2-(3-phenoxyphenyl)cyclopropyl] formate
CID 57131825
[4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 81012051
2-ethyl-3-(3-phenoxyphenyl)pyrrolidine
CID 63468592

Frequently Asked Questions

What is the IUPAC name of [2-(3-phenoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [2-(3-phenoxyphenyl)cyclopropyl]methanamine (CID 62708512) is [2-(3-phenoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [2-(3-phenoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [2-(3-phenoxyphenyl)cyclopropyl]methanamine is NCC1CC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [2-(3-phenoxyphenyl)cyclopropyl]methanamine?
The InChIKey is QCEBAMWGKWQYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c17-11-13-10-16(13)12-5-4-8-15(9-12)18-14-6-2-1-3-7-14/h1-9,13,16H,10-11,17H2.
What are the key properties of [2-(3-phenoxyphenyl)cyclopropyl]methanamine?
[2-(3-phenoxyphenyl)cyclopropyl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 62708512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).