(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride

C12H18ClNO2 — CID 121282495

IUPAC(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
SMILESCl.NC1(CO)CC(OCc2ccccc2)C1
InChIInChI=1S/C12H17NO2.ClH/c13-12(9-14)6-11(7-12)15-8-10-4-2-1-3-5-10;/h1-5,11,14H,6-9,13H2;1H
InChIKeyQTJLVGBUGQXLNK-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.48
Rot. Bonds4

About (1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride

(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride (PubChem CID 121282495) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride.

Molecular Properties

Compound Name(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
PubChem CID121282495
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
SMILESCl.NC1(CO)CC(OCc2ccccc2)C1
InChIInChI=1S/C12H17NO2.ClH/c13-12(9-14)6-11(7-12)15-8-10-4-2-1-3-5-10;/h1-5,11,14H,6-9,13H2;1H
InChIKeyQTJLVGBUGQXLNK-UHFFFAOYSA-N
XLogP1.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 149153047
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
1-(1,2,4-oxadiazol-3-yl)-3-phenylmethoxycyclobutan-1-amine;hydrochloride
CID 130455172
[(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 175065005
cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid
CID 10706618
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
1-[[hydroxy(methyl)boranyl]amino]-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 58601841
3-phenylmethoxycyclobutane-1-carboximidamide;hydrochloride
CID 126619101
azane;cyclopentyloxymethylbenzene
CID 69411306

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride?
The IUPAC name of (1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride (CID 121282495) is (1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride.
What is the SMILES notation for (1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride?
The canonical SMILES for (1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride is Cl.NC1(CO)CC(OCc2ccccc2)C1.
What is the InChIKey of (1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride?
The InChIKey is QTJLVGBUGQXLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c13-12(9-14)6-11(7-12)15-8-10-4-2-1-3-5-10;/h1-5,11,14H,6-9,13H2;1H.
What are the key properties of (1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride?
(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride is sourced from PubChem (CID 121282495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).