2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine

C16H26BrNO2 — CID 62718705

IUPAC2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
SMILESCOCCCC(CNCCOC)Cc1ccccc1Br
InChIInChI=1S/C16H26BrNO2/c1-19-10-5-6-14(13-18-9-11-20-2)12-15-7-3-4-8-16(15)17/h3-4,7-8,14,18H,5-6,9-13H2,1-2H3
InChIKeyBEAUYIXSBGWJEG-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.27
Rot. Bonds11

About 2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine

2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 62718705) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
PubChem CID62718705
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
SMILESCOCCCC(CNCCOC)Cc1ccccc1Br
InChIInChI=1S/C16H26BrNO2/c1-19-10-5-6-14(13-18-9-11-20-2)12-15-7-3-4-8-16(15)17/h3-4,7-8,14,18H,5-6,9-13H2,1-2H3
InChIKeyBEAUYIXSBGWJEG-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine
CID 62515977
2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
CID 62719056
2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82926038
5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
CID 55083208
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-[(2-bromophenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83168303
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
2-[(2-bromophenyl)methyl]-N-ethylheptan-1-amine
CID 55221533
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 62514235
2-[(2-bromophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943389
2-[(2-bromophenyl)methyl]-N-ethyldecan-1-amine
CID 63521420

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine (CID 62718705) is 2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine is COCCCC(CNCCOC)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is BEAUYIXSBGWJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-19-10-5-6-14(13-18-9-11-20-2)12-15-7-3-4-8-16(15)17/h3-4,7-8,14,18H,5-6,9-13H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine?
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 344.29 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 62718705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).