2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine

C14H22BrNO2 — CID 82825663

IUPAC2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)OCc1ccccc1Br
InChIInChI=1S/C14H22BrNO2/c1-12(10-16-8-5-9-17-2)18-11-13-6-3-4-7-14(13)15/h3-4,6-7,12,16H,5,8-11H2,1-2H3
InChIKeyOHOQZPGSYLOCNY-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.98
Rot. Bonds9

About 2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine

2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine (PubChem CID 82825663) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
PubChem CID82825663
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)OCc1ccccc1Br
InChIInChI=1S/C14H22BrNO2/c1-12(10-16-8-5-9-17-2)18-11-13-6-3-4-7-14(13)15/h3-4,6-7,12,16H,5,8-11H2,1-2H3
InChIKeyOHOQZPGSYLOCNY-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.98
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-chlorophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
CID 55088725
2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62564988
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094
2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 104708487
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545
2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
CID 62719056
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
2-bromo-6-[(3-methoxypropylamino)methyl]phenol
CID 61390597
2-N-[(2-bromophenyl)methyl]-1-N-(3-ethoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62567995
N-(2-phenylmethoxypropyl)butan-1-amine
CID 62566134
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine (CID 82825663) is 2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine is COCCCNCC(C)OCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine?
The InChIKey is OHOQZPGSYLOCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-12(10-16-8-5-9-17-2)18-11-13-6-3-4-7-14(13)15/h3-4,6-7,12,16H,5,8-11H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine?
2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine has a molecular weight of 316.24 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine is sourced from PubChem (CID 82825663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).