3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol

C14H20Cl2FNO — CID 65105547

IUPAC3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H20Cl2FNO/c1-4-14(19,5-2)8-18-9(3)12-10(15)6-7-11(17)13(12)16/h6-7,9,18-19H,4-5,8H2,1-3H3
InChIKeyVWRIGUAYCXLLCD-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.33
Rot. Bonds6

About 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol

3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol (PubChem CID 65105547) has the molecular formula C14H20Cl2FNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol
PubChem CID65105547
Molecular FormulaC14H20Cl2FNO
Molecular Weight308.22 g/mol
Exact Mass307.09
IUPAC Name3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H20Cl2FNO/c1-4-14(19,5-2)8-18-9(3)12-10(15)6-7-11(17)13(12)16/h6-7,9,18-19H,4-5,8H2,1-3H3
InChIKeyVWRIGUAYCXLLCD-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548563
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567768
methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
CID 43545015
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 43545191
(2S)-1-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 122131753
ethyl 4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]butanoate
CID 64578328
3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 60925290
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 115709508
1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine
CID 55259288
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119716790
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271297

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol (CID 65105547) is 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol?
The InChIKey is VWRIGUAYCXLLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2FNO/c1-4-14(19,5-2)8-18-9(3)12-10(15)6-7-11(17)13(12)16/h6-7,9,18-19H,4-5,8H2,1-3H3.
What are the key properties of 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol?
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol has a molecular weight of 308.22 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65105547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).