2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol

C14H21NO — CID 67025850

IUPAC2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol
SMILESNCC1(Cc2ccc(CCO)cc2)CCC1
InChIInChI=1S/C14H21NO/c15-11-14(7-1-8-14)10-13-4-2-12(3-5-13)6-9-16/h2-5,16H,1,6-11,15H2
InChIKeyNURVIWBSXVOOKB-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.89
Rot. Bonds5

About 2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol

2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol (PubChem CID 67025850) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol
PubChem CID67025850
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol
SMILESNCC1(Cc2ccc(CCO)cc2)CCC1
InChIInChI=1S/C14H21NO/c15-11-14(7-1-8-14)10-13-4-2-12(3-5-13)6-9-16/h2-5,16H,1,6-11,15H2
InChIKeyNURVIWBSXVOOKB-UHFFFAOYSA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[1-(aminomethyl)cyclopentyl]methyl]phenyl]methanol
CID 18999623
2-[4-[(1-propylcyclopentyl)methyl]phenyl]ethanol
CID 70834822
2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol
CID 117116056
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
2-[4-(1-aminocyclobutyl)phenyl]ethanol
CID 117112872
[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 62725893
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
2-[4-[2-(1-aminocyclopropyl)ethyl]phenyl]ethanol
CID 105457995
[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
CID 65390706
[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
CID 63522504
[1-[[4-[2-(oxan-2-yloxy)ethyl]phenyl]methyl]cyclopentyl]methanamine
CID 18999475

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol (CID 67025850) is 2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol is NCC1(Cc2ccc(CCO)cc2)CCC1.
What is the InChIKey of 2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol?
The InChIKey is NURVIWBSXVOOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-11-14(7-1-8-14)10-13-4-2-12(3-5-13)6-9-16/h2-5,16H,1,6-11,15H2.
What are the key properties of 2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol?
2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol is sourced from PubChem (CID 67025850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).