2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine

C14H22BrNO — CID 79442906

IUPAC2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
SMILESCCNCC(CCCOC)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-3-16-11-13(7-5-9-17-2)12-6-4-8-14(15)10-12/h4,6,8,10,13,16H,3,5,7,9,11H2,1-2H3
InChIKeyLAOZPKCKWXVQKH-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.57
Rot. Bonds8

About 2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine

2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine (PubChem CID 79442906) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
PubChem CID79442906
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
SMILESCCNCC(CCCOC)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-3-16-11-13(7-5-9-17-2)12-6-4-8-14(15)10-12/h4,6,8,10,13,16H,3,5,7,9,11H2,1-2H3
InChIKeyLAOZPKCKWXVQKH-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544
N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442599
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
2-(3-bromophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79443653
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine
CID 79430860
2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 62107996
2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82929807
2-(3-bromophenyl)-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617873
2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457166

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine (CID 79442906) is 2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine is CCNCC(CCCOC)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine?
The InChIKey is LAOZPKCKWXVQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-16-11-13(7-5-9-17-2)12-6-4-8-14(15)10-12/h4,6,8,10,13,16H,3,5,7,9,11H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine?
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine is sourced from PubChem (CID 79442906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).