1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C16H24BrFN2 — CID 83116978

IUPAC1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCC(NCC1(N(C)C)CCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C16H24BrFN2/c1-12(14-7-6-13(17)10-15(14)18)19-11-16(20(2)3)8-4-5-9-16/h6-7,10,12,19H,4-5,8-9,11H2,1-3H3
InChIKeyLVLLSVSSVIUDMN-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.11
Rot. Bonds5

About 1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 83116978) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID83116978
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCC(NCC1(N(C)C)CCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C16H24BrFN2/c1-12(14-7-6-13(17)10-15(14)18)19-11-16(20(2)3)8-4-5-9-16/h6-7,10,12,19H,4-5,8-9,11H2,1-3H3
InChIKeyLVLLSVSSVIUDMN-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 102613018
1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613571
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200
3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide
CID 82962909
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
[1-[1-(4-bromo-2-fluorophenyl)ethylamino]cyclopropyl]methanol
CID 91660867
4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
N-[1-(4-bromo-2-fluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 82964773
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
CID 82963254
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 83116978) is 1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine is CC(NCC1(N(C)C)CCCC1)c1ccc(Br)cc1F.
What is the InChIKey of 1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is LVLLSVSSVIUDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-12(14-7-6-13(17)10-15(14)18)19-11-16(20(2)3)8-4-5-9-16/h6-7,10,12,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 343.28 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 83116978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).