[1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol

C15H21F2NO3 — CID 79126174

IUPAC[1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol
SMILESCCOc1cc(C(O)C2(CN)CCC2)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO3/c1-2-20-12-8-10(4-5-11(12)21-14(16)17)13(19)15(9-18)6-3-7-15/h4-5,8,13-14,19H,2-3,6-7,9,18H2,1H3
InChIKeyJBMXFTLVZZDTOF-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.85
Rot. Bonds7

About [1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol

[1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol (PubChem CID 79126174) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol
PubChem CID79126174
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name[1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol
SMILESCCOc1cc(C(O)C2(CN)CCC2)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO3/c1-2-20-12-8-10(4-5-11(12)21-14(16)17)13(19)15(9-18)6-3-7-15/h4-5,8,13-14,19H,2-3,6-7,9,18H2,1H3
InChIKeyJBMXFTLVZZDTOF-UHFFFAOYSA-N
XLogP2.85
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol with MolForge

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Related Compounds

1-[(3,4-diethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448377
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylprop-2-en-1-ol
CID 79190781
methyl 2-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate
CID 141081328
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-hydroxy-2,2-dimethylpropanoic acid
CID 62397664
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
methyl 4-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]butanoate
CID 66097877
4-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]butanoic acid
CID 66097892
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
3-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 21082339
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62542549
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol
CID 79138573

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol (CID 79126174) is [1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol is CCOc1cc(C(O)C2(CN)CCC2)ccc1OC(F)F.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol?
The InChIKey is JBMXFTLVZZDTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-2-20-12-8-10(4-5-11(12)21-14(16)17)13(19)15(9-18)6-3-7-15/h4-5,8,13-14,19H,2-3,6-7,9,18H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol?
[1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol has a molecular weight of 301.33 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol is sourced from PubChem (CID 79126174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).