2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol

C14H21NO2 — CID 165446723

IUPAC2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol
SMILESCC(O)(COCc1ccccc1)C1(CN)CC1
InChIInChI=1S/C14H21NO2/c1-13(16,14(10-15)7-8-14)11-17-9-12-5-3-2-4-6-12/h2-6,16H,7-11,15H2,1H3
InChIKeyIOSUQTDUIBNWRO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds6

About 2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol

2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol (PubChem CID 165446723) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol
PubChem CID165446723
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol
SMILESCC(O)(COCc1ccccc1)C1(CN)CC1
InChIInChI=1S/C14H21NO2/c1-13(16,14(10-15)7-8-14)11-17-9-12-5-3-2-4-6-12/h2-6,16H,7-11,15H2,1H3
InChIKeyIOSUQTDUIBNWRO-UHFFFAOYSA-N
XLogP1.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
2-methyl-2-(phenylmethoxymethyl)butan-1-amine
CID 102940469
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
4-amino-2-phenyl-1-phenylmethoxybutan-2-ol
CID 11514582
(2-methyl-1-phenylmethoxypropan-2-yl) carbonochloridate
CID 19779089
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol (CID 165446723) is 2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol is CC(O)(COCc1ccccc1)C1(CN)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol?
The InChIKey is IOSUQTDUIBNWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(16,14(10-15)7-8-14)11-17-9-12-5-3-2-4-6-12/h2-6,16H,7-11,15H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol?
2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopropyl]-1-phenylmethoxypropan-2-ol is sourced from PubChem (CID 165446723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).