2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine

C18H22BrNO — CID 79430860

IUPAC2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine
SMILESCNCC(CCCOc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-20-14-16(15-7-5-9-17(19)13-15)8-6-12-21-18-10-3-2-4-11-18/h2-5,7,9-11,13,16,20H,6,8,12,14H2,1H3
InChIKeyTXTXVUKUZNVRCV-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.61
Rot. Bonds8

About 2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine

2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine (PubChem CID 79430860) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine
PubChem CID79430860
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine
SMILESCNCC(CCCOc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-20-14-16(15-7-5-9-17(19)13-15)8-6-12-21-18-10-3-2-4-11-18/h2-5,7,9-11,13,16,20H,6,8,12,14H2,1H3
InChIKeyTXTXVUKUZNVRCV-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.61
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)-4-phenoxybutan-1-amine
CID 79442992
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol
CID 62380958
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
2-(2-bromophenyl)-N-methyl-4-phenoxybutan-1-amine
CID 79449002
(1-bromo-5-phenoxypentan-2-yl)benzene
CID 66042259
2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544
1-bromo-3-[1-bromo-4-(4-bromophenoxy)butan-2-yl]benzene
CID 79430050
5-(2-methoxyethoxy)-N-methyl-2-phenylpentan-1-amine
CID 103412550

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine (CID 79430860) is 2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine is CNCC(CCCOc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine?
The InChIKey is TXTXVUKUZNVRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-20-14-16(15-7-5-9-17(19)13-15)8-6-12-21-18-10-3-2-4-11-18/h2-5,7,9-11,13,16,20H,6,8,12,14H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine?
2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.61, 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-methyl-5-phenoxypentan-1-amine is sourced from PubChem (CID 79430860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).