1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol

C16H23ClFNO — CID 65123525

IUPAC1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H23ClFNO/c1-12(14-7-6-13(18)10-15(14)17)19-11-16(20)8-4-2-3-5-9-16/h6-7,10,12,19-20H,2-5,8-9,11H2,1H3
InChIKeyWRSNYNDZJXQOMU-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.22
Rot. Bonds4

About 1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol

1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 65123525) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID65123525
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H23ClFNO/c1-12(14-7-6-13(18)10-15(14)17)19-11-16(20)8-4-2-3-5-9-16/h6-7,10,12,19-20H,2-5,8-9,11H2,1H3
InChIKeyWRSNYNDZJXQOMU-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105414
1-(2-chloro-4-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723574
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122891
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol (CID 65123525) is 1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol is CC(NCC1(O)CCCCCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is WRSNYNDZJXQOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-12(14-7-6-13(18)10-15(14)17)19-11-16(20)8-4-2-3-5-9-16/h6-7,10,12,19-20H,2-5,8-9,11H2,1H3.
What are the key properties of 1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol?
1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 299.82 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65123525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).