N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine

C16H23Br2N — CID 64920776

IUPACN-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2ccc(Br)cc2Br)C1C
InChIInChI=1S/C16H23Br2N/c1-4-12-5-8-16(10(12)2)19-11(3)14-7-6-13(17)9-15(14)18/h6-7,9-12,16,19H,4-5,8H2,1-3H3
InChIKeyDTACRYNATBLHFY-UHFFFAOYSA-N
MW389.18 g/mol
LogP5.69
Rot. Bonds4

About N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine

N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64920776) has the molecular formula C16H23Br2N and a molecular weight of 389.18 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID64920776
Molecular FormulaC16H23Br2N
Molecular Weight389.18 g/mol
Exact Mass387.02
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2ccc(Br)cc2Br)C1C
InChIInChI=1S/C16H23Br2N/c1-4-12-5-8-16(10(12)2)19-11(3)14-7-6-13(17)9-15(14)18/h6-7,9-12,16,19H,4-5,8H2,1-3H3
InChIKeyDTACRYNATBLHFY-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.18
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 82964868
N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62398713
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64922129
[2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol
CID 103786074
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64920557
3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 64923126
4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol
CID 64920939
N-[1-(2,4-dibromophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115717601
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921325
3-ethyl-2-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64921128
3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine
CID 64922146
3-ethyl-2-methyl-N-(1-pyridin-2-ylethyl)cyclopentan-1-amine
CID 64921322

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (CID 64920776) is N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NC(C)c2ccc(Br)cc2Br)C1C.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is DTACRYNATBLHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2N/c1-4-12-5-8-16(10(12)2)19-11(3)14-7-6-13(17)9-15(14)18/h6-7,9-12,16,19H,4-5,8H2,1-3H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 389.18 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64920776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).