1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol

C14H19BrFNO — CID 65105321

IUPAC1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFNO/c1-10(11-4-5-13(16)12(15)8-11)17-9-14(18)6-2-3-7-14/h4-5,8,10,17-18H,2-3,6-7,9H2,1H3
InChIKeyGQWDXJZEEXHQKZ-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.54
Rot. Bonds4

About 1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol

1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 65105321) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID65105321
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFNO/c1-10(11-4-5-13(16)12(15)8-11)17-9-14(18)6-2-3-7-14/h4-5,8,10,17-18H,2-3,6-7,9H2,1H3
InChIKeyGQWDXJZEEXHQKZ-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902896
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107365
1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
CID 81359958
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105414
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644
3-[1-(3-bromo-4-fluorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778624
1-(3-bromo-4-fluorophenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80600440
5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 111459413
1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol
CID 110905199

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol (CID 65105321) is 1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1(O)CCCC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is GQWDXJZEEXHQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-10(11-4-5-13(16)12(15)8-11)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-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol?
1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 316.21 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).