1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol

C16H24FNO2 — CID 65123420

IUPAC1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)c1ccc(F)cc1O
InChIInChI=1S/C16H24FNO2/c1-12(14-7-6-13(17)10-15(14)19)18-11-16(20)8-4-2-3-5-9-16/h6-7,10,12,18-20H,2-5,8-9,11H2,1H3
InChIKeyMPCLJYVTJCQDHV-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.27
Rot. Bonds4

About 1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol

1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 65123420) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID65123420
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)c1ccc(F)cc1O
InChIInChI=1S/C16H24FNO2/c1-12(14-7-6-13(17)10-15(14)19)18-11-16(20)8-4-2-3-5-9-16/h6-7,10,12,18-20H,2-5,8-9,11H2,1H3
InChIKeyMPCLJYVTJCQDHV-UHFFFAOYSA-N
XLogP3.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123525
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105414
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
CID 115358531
2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
CID 104582377
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844
1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122891
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol (CID 65123420) is 1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol is CC(NCC1(O)CCCCCC1)c1ccc(F)cc1O.
What is the InChIKey of 1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is MPCLJYVTJCQDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12(14-7-6-13(17)10-15(14)19)18-11-16(20)8-4-2-3-5-9-16/h6-7,10,12,18-20H,2-5,8-9,11H2,1H3.
What are the key properties of 1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol?
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65123420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).