N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine

C19H22N2O — CID 78097111

IUPACN-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine
SMILESc1ccc(COc2ccc(C3CC3NC3CNC3)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-2-4-14(5-3-1)13-22-17-8-6-15(7-9-17)18-10-19(18)21-16-11-20-12-16/h1-9,16,18-21H,10-13H2
InChIKeyIJWCHZPXJKBNNS-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine

N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine (PubChem CID 78097111) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine
PubChem CID78097111
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine
SMILESc1ccc(COc2ccc(C3CC3NC3CNC3)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-2-4-14(5-3-1)13-22-17-8-6-15(7-9-17)18-10-19(18)21-16-11-20-12-16/h1-9,16,18-21H,10-13H2
InChIKeyIJWCHZPXJKBNNS-UHFFFAOYSA-N
XLogP2.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine
CID 158438247
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
3-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine
CID 90395406
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
2-(4-phenylmethoxyphenyl)-N-(1,2,4-triazin-6-ylmethyl)cyclopropan-1-amine
CID 174895166
trans-(1R,2S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;dihydrochloride
CID 89123889
2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile
CID 126740807
trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895535

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine?
The IUPAC name of N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine (CID 78097111) is N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine.
What is the SMILES notation for N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine?
The canonical SMILES for N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine is c1ccc(COc2ccc(C3CC3NC3CNC3)cc2)cc1.
What is the InChIKey of N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine?
The InChIKey is IJWCHZPXJKBNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-4-14(5-3-1)13-22-17-8-6-15(7-9-17)18-10-19(18)21-16-11-20-12-16/h1-9,16,18-21H,10-13H2.
What are the key properties of N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine?
N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine has a molecular weight of 294.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine is sourced from PubChem (CID 78097111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).