[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol

C12H18N2O — CID 107229702

IUPAC[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol
SMILESNC1CC(NCc2cccc(CO)c2)C1
InChIInChI=1S/C12H18N2O/c13-11-5-12(6-11)14-7-9-2-1-3-10(4-9)8-15/h1-4,11-12,14-15H,5-8,13H2
InChIKeyCNJOYXFMOLOZAM-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.76
Rot. Bonds4

About [3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol

[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol (PubChem CID 107229702) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol
PubChem CID107229702
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol
SMILESNC1CC(NCc2cccc(CO)c2)C1
InChIInChI=1S/C12H18N2O/c13-11-5-12(6-11)14-7-9-2-1-3-10(4-9)8-15/h1-4,11-12,14-15H,5-8,13H2
InChIKeyCNJOYXFMOLOZAM-UHFFFAOYSA-N
XLogP0.76
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1,4-dithiepan-6-ylamino)methyl]phenyl]methanol
CID 122562649
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163
[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol
CID 107229792
[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
CID 102609613
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 103699215
4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol
CID 107230514
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
CID 107229924
1-N-[(5-methylthiophen-3-yl)methyl]cyclobutane-1,3-diamine
CID 127006298
[3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenyl]methanol
CID 103781783
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230719

Frequently Asked Questions

What is the IUPAC name of [3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol (CID 107229702) is [3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol is NC1CC(NCc2cccc(CO)c2)C1.
What is the InChIKey of [3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol?
The InChIKey is CNJOYXFMOLOZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-5-12(6-11)14-7-9-2-1-3-10(4-9)8-15/h1-4,11-12,14-15H,5-8,13H2.
What are the key properties of [3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol?
[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol has a molecular weight of 206.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107229702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).