[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol

C18H21NO2 — CID 79123408

IUPAC[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol
SMILESNCC1(C(O)c2cccc(Oc3ccccc3)c2)CCC1
InChIInChI=1S/C18H21NO2/c19-13-18(10-5-11-18)17(20)14-6-4-9-16(12-14)21-15-7-2-1-3-8-15/h1-4,6-9,12,17,20H,5,10-11,13,19H2
InChIKeyKUTZZNWLYGVZMT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.64
Rot. Bonds5

About [1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol

[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol (PubChem CID 79123408) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol
PubChem CID79123408
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol
SMILESNCC1(C(O)c2cccc(Oc3ccccc3)c2)CCC1
InChIInChI=1S/C18H21NO2/c19-13-18(10-5-11-18)17(20)14-6-4-9-16(12-14)21-15-7-2-1-3-8-15/h1-4,6-9,12,17,20H,5,10-11,13,19H2
InChIKeyKUTZZNWLYGVZMT-UHFFFAOYSA-N
XLogP3.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol
CID 79126025
[1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol
CID 79976714
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782
1-(3-phenoxyphenyl)ethanol
CID 12882419
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116958827
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine
CID 116912535
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol
CID 79138573
[1-(aminomethyl)cyclobutyl]-(1,3-benzodioxol-5-yl)methanol
CID 79135284
[1-(aminomethyl)cyclobutyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241184
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol (CID 79123408) is [1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol is NCC1(C(O)c2cccc(Oc3ccccc3)c2)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol?
The InChIKey is KUTZZNWLYGVZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c19-13-18(10-5-11-18)17(20)14-6-4-9-16(12-14)21-15-7-2-1-3-8-15/h1-4,6-9,12,17,20H,5,10-11,13,19H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol?
[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol has a molecular weight of 283.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol is sourced from PubChem (CID 79123408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).