[1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol

C17H19NO2 — CID 115243213

IUPAC[1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol
SMILESOCC1(CNc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C17H19NO2/c19-13-17(10-11-17)12-18-14-6-8-16(9-7-14)20-15-4-2-1-3-5-15/h1-9,18-19H,10-13H2
InChIKeyDAACUNLGMSVYEL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.66
Rot. Bonds6

About [1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol

[1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol (PubChem CID 115243213) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol
PubChem CID115243213
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol
SMILESOCC1(CNc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C17H19NO2/c19-13-17(10-11-17)12-18-14-6-8-16(9-7-14)20-15-4-2-1-3-5-15/h1-9,18-19H,10-13H2
InChIKeyDAACUNLGMSVYEL-UHFFFAOYSA-N
XLogP3.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
[1-[(3-aminoanilino)methyl]cyclopropyl]methanol
CID 115454159
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzoic acid
CID 102823238
2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 108511608
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
N-(3-methylbut-3-enyl)-4-phenoxyaniline
CID 114471890
N-butyl-4-phenoxyaniline
CID 4712110
N-(2,2-dimethylbutyl)-4-phenoxyaniline
CID 168720380
[1-[(3-chloro-4-ethoxyanilino)methyl]cyclopropyl]methanol
CID 115243228
2-chloro-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzoic acid
CID 115455535

Frequently Asked Questions

What is the IUPAC name of [1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol (CID 115243213) is [1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol is OCC1(CNc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of [1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol?
The InChIKey is DAACUNLGMSVYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-13-17(10-11-17)12-18-14-6-8-16(9-7-14)20-15-4-2-1-3-5-15/h1-9,18-19H,10-13H2.
What are the key properties of [1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol?
[1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol has a molecular weight of 269.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-phenoxyanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).