2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol

C14H18Cl2FNO — CID 114750621

IUPAC2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol
SMILESCC(NCC1(CCO)CC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2FNO/c1-9(18-8-14(2-3-14)4-5-19)10-6-13(17)12(16)7-11(10)15/h6-7,9,18-19H,2-5,8H2,1H3
InChIKeyRYRIAHMWSIKECL-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.95
Rot. Bonds6

About 2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol

2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol (PubChem CID 114750621) has the molecular formula C14H18Cl2FNO and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol
PubChem CID114750621
Molecular FormulaC14H18Cl2FNO
Molecular Weight306.21 g/mol
Exact Mass305.07
IUPAC Name2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol
SMILESCC(NCC1(CCO)CC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2FNO/c1-9(18-8-14(2-3-14)4-5-19)10-6-13(17)12(16)7-11(10)15/h6-7,9,18-19H,2-5,8H2,1H3
InChIKeyRYRIAHMWSIKECL-UHFFFAOYSA-N
XLogP3.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]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

1-(2,5-dichlorophenyl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099692
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65032240
3-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787427
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706405
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]prop-2-en-1-amine
CID 43231321
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 103935669
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865
N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 63450527
2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750802
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2,2-dimethylcyclopropan-1-amine
CID 63477411

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol (CID 114750621) is 2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol is CC(NCC1(CCO)CC1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol?
The InChIKey is RYRIAHMWSIKECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FNO/c1-9(18-8-14(2-3-14)4-5-19)10-6-13(17)12(16)7-11(10)15/h6-7,9,18-19H,2-5,8H2,1H3.
What are the key properties of 2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol?
2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol has a molecular weight of 306.21 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).