N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine

C14H19Br2N — CID 60781569

IUPACN-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NCC1CCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2N/c1-10(17-9-11-4-2-3-5-11)13-7-6-12(15)8-14(13)16/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyFJZFLTMHLBXKIT-UHFFFAOYSA-N
MW361.12 g/mol
LogP5.05
Rot. Bonds4

About N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine

N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine (PubChem CID 60781569) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
PubChem CID60781569
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC NameN-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NCC1CCCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2N/c1-10(17-9-11-4-2-3-5-11)13-7-6-12(15)8-14(13)16/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyFJZFLTMHLBXKIT-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.12
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781645
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
N-(2-cyclohexylethyl)-1-(2,4-dibromophenyl)ethanamine
CID 63448416
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
4-bromo-2-[1-(cyclobutylmethylamino)ethyl]phenol
CID 104581979
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
1-(4-bromo-2-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 82963551
1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 43371437
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 114515232
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine (CID 60781569) is N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine is CC(NCC1CCCC1)c1ccc(Br)cc1Br.
What is the InChIKey of N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine?
The InChIKey is FJZFLTMHLBXKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-10(17-9-11-4-2-3-5-11)13-7-6-12(15)8-14(13)16/h6-8,10-11,17H,2-5,9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine?
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine has a molecular weight of 361.12 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine is sourced from PubChem (CID 60781569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).