N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine

C17H27BrClN — CID 82773597

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H27BrClN/c1-13(2)8-6-4-5-7-11-20-14(3)16-10-9-15(18)12-17(16)19/h9-10,12-14,20H,4-8,11H2,1-3H3
InChIKeySJDTXJORMJJPDL-UHFFFAOYSA-N
MW360.77 g/mol
LogP6.36
Rot. Bonds9

About N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine

N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine (PubChem CID 82773597) has the molecular formula C17H27BrClN and a molecular weight of 360.77 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
PubChem CID82773597
Molecular FormulaC17H27BrClN
Molecular Weight360.77 g/mol
Exact Mass359.10
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H27BrClN/c1-13(2)8-6-4-5-7-11-20-14(3)16-10-9-15(18)12-17(16)19/h9-10,12-14,20H,4-8,11H2,1-3H3
InChIKeySJDTXJORMJJPDL-UHFFFAOYSA-N
XLogP6.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.77
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-7-methyloctan-1-amine
CID 82962730
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 82774647
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 82773319
N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide
CID 82773914
1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82773613
N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
CID 113287271
1-(4-bromo-2-chlorophenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 82773330
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 82773805
N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
CID 43103321
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-1-amine
CID 113287377
4-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]pentan-1-amine
CID 63452553
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460430

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine (CID 82773597) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine is CC(C)CCCCCCNC(C)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine?
The InChIKey is SJDTXJORMJJPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrClN/c1-13(2)8-6-4-5-7-11-20-14(3)16-10-9-15(18)12-17(16)19/h9-10,12-14,20H,4-8,11H2,1-3H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine has a molecular weight of 360.77 g/mol, XLogP of 6.36, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine is sourced from PubChem (CID 82773597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).