2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol

C14H21ClFNO — CID 62016261

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-3-11(4-2)17(8-9-18)10-12-13(15)6-5-7-14(12)16/h5-7,11,18H,3-4,8-10H2,1-2H3
InChIKeyMEEKFAZIYDZIHP-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.46
Rot. Bonds7

About 2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol

2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol (PubChem CID 62016261) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol
PubChem CID62016261
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-3-11(4-2)17(8-9-18)10-12-13(15)6-5-7-14(12)16/h5-7,11,18H,3-4,8-10H2,1-2H3
InChIKeyMEEKFAZIYDZIHP-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 63389222
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80678902
2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115631698
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine
CID 63387036
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylamino]propanimidamide
CID 54996527
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-ylacetamide
CID 39359888
2-[(2,6-dichloro-3-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 106993642
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol (CID 62016261) is 2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is MEEKFAZIYDZIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-3-11(4-2)17(8-9-18)10-12-13(15)6-5-7-14(12)16/h5-7,11,18H,3-4,8-10H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol?
2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 273.78 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62016261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).