3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol

C14H21ClFNO — CID 104938136

IUPAC3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H21ClFNO/c1-2-3-11(4-5-18)9-17-10-12-6-13(15)8-14(16)7-12/h6-8,11,17-18H,2-5,9-10H2,1H3
InChIKeyQSGCTXAJNZOMFT-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.37
Rot. Bonds8

About 3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol

3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol (PubChem CID 104938136) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
PubChem CID104938136
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H21ClFNO/c1-2-3-11(4-5-18)9-17-10-12-6-13(15)8-14(16)7-12/h6-8,11,17-18H,2-5,9-10H2,1H3
InChIKeyQSGCTXAJNZOMFT-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol 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-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide
CID 106115552
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol
CID 104938141
1-chloro-3-(2-ethylpentyl)-5-fluorobenzene
CID 134350975
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
CID 103707936
1-N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 114452251
2-[[2-(2-hydroxyethyl)pentylamino]methyl]-4,5-dimethylphenol
CID 111470622
N-[1-(3-chloro-5-fluorophenyl)ethenyl]-2-propylpentan-1-amine
CID 134423179
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386
2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol
CID 114452879

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol (CID 104938136) is 3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol?
The InChIKey is QSGCTXAJNZOMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-2-3-11(4-5-18)9-17-10-12-6-13(15)8-14(16)7-12/h6-8,11,17-18H,2-5,9-10H2,1H3.
What are the key properties of 3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol?
3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol has a molecular weight of 273.78 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 104938136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).