1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol

C14H19F2NO — CID 65105414

IUPAC1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-10(12-8-11(15)4-5-13(12)16)17-9-14(18)6-2-3-7-14/h4-5,8,10,17-18H,2-3,6-7,9H2,1H3
InChIKeyNGDWPIOLTVRTCX-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.92
Rot. Bonds4

About 1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol

1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 65105414) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID65105414
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-10(12-8-11(15)4-5-13(12)16)17-9-14(18)6-2-3-7-14/h4-5,8,10,17-18H,2-3,6-7,9H2,1H3
InChIKeyNGDWPIOLTVRTCX-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[1-(2,5-difluorophenyl)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-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123525
1-[[1-(5-bromo-2-fluorophenyl)ethylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 82963406
1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105321
1-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65109009
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122891
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
N-[1-(2,5-difluorophenyl)ethyl]pent-3-yn-1-amine
CID 104758066

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol (CID 65105414) is 1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1(O)CCCC1)c1cc(F)ccc1F.
What is the InChIKey of 1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is NGDWPIOLTVRTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(12-8-11(15)4-5-13(12)16)17-9-14(18)6-2-3-7-14/h4-5,8,10,17-18H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).