N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine

C16H24BrNO — CID 57064976

IUPACN-(2-bromoethoxy)-1-phenyloct-1-en-1-amine
SMILESCCCCCCC=C(NOCCBr)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-2-3-4-5-9-12-16(18-19-14-13-17)15-10-7-6-8-11-15/h6-8,10-12,18H,2-5,9,13-14H2,1H3
InChIKeyKSJNPQFFEQWYNB-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.91
Rot. Bonds10

About N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine

N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine (PubChem CID 57064976) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine.

Molecular Properties

Compound NameN-(2-bromoethoxy)-1-phenyloct-1-en-1-amine
PubChem CID57064976
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(2-bromoethoxy)-1-phenyloct-1-en-1-amine
SMILESCCCCCCC=C(NOCCBr)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-2-3-4-5-9-12-16(18-19-14-13-17)15-10-7-6-8-11-15/h6-8,10-12,18H,2-5,9,13-14H2,1H3
InChIKeyKSJNPQFFEQWYNB-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenyloxazine
CID 53643691
N-(2-bromoethoxy)-1,2-bis(2-fluorophenyl)ethenamine
CID 57042642
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
N-(2-bromoethoxy)-1,2-bis(4-fluorophenyl)ethenamine
CID 57110229
1-(2,5-difluorophenyl)-N-methoxyethenamine
CID 57227492
1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57266923
1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine
CID 57284314
3,3,3-trifluoro-N-methoxy-1-phenylprop-1-en-1-amine
CID 57310683
1-(4-fluorophenyl)-N-methoxyethenamine
CID 90882872
1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
CID 90980629

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine?
The IUPAC name of N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine (CID 57064976) is N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine.
What is the SMILES notation for N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine?
The canonical SMILES for N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine is CCCCCCC=C(NOCCBr)c1ccccc1.
What is the InChIKey of N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine?
The InChIKey is KSJNPQFFEQWYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-3-4-5-9-12-16(18-19-14-13-17)15-10-7-6-8-11-15/h6-8,10-12,18H,2-5,9,13-14H2,1H3.
What are the key properties of N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine?
N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethoxy)-1-phenyloct-1-en-1-amine is sourced from PubChem (CID 57064976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).