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

C14H18Cl2FNO — CID 103271297

IUPAC3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCC(O)C1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H18Cl2FNO/c1-8(18-7-9-2-3-10(19)6-9)13-11(15)4-5-12(17)14(13)16/h4-5,8-10,18-19H,2-3,6-7H2,1H3
InChIKeyDYYOAWODKVCKLY-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.94
Rot. Bonds4

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

3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 103271297) has the molecular formula C14H18Cl2FNO and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID103271297
Molecular FormulaC14H18Cl2FNO
Molecular Weight306.21 g/mol
Exact Mass305.07
IUPAC Name3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1CCC(O)C1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H18Cl2FNO/c1-8(18-7-9-2-3-10(19)6-9)13-11(15)4-5-12(17)14(13)16/h4-5,8-10,18-19H,2-3,6-7H2,1H3
InChIKeyDYYOAWODKVCKLY-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-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

1-(2,6-dichloro-3-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932036
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
1-cyclopropyl-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]propan-2-amine
CID 63989941
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567768
1-(2,6-dichloro-3-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
CID 43545128
methyl 2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetate
CID 43545015
1-(2,6-dichloro-3-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]ethanamine
CID 55259288
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]pentan-3-ol
CID 65105547
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 107094347
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 43545191
2-[1-[(3-hydroxycyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 106124250

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol (CID 103271297) is 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1CCC(O)C1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is DYYOAWODKVCKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FNO/c1-8(18-7-9-2-3-10(19)6-9)13-11(15)4-5-12(17)14(13)16/h4-5,8-10,18-19H,2-3,6-7H2,1H3.
What are the key properties of 3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 306.21 g/mol, XLogP of 3.94, 4 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]cyclopentan-1-ol is sourced from PubChem (CID 103271297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).