3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine

C12H18BrNO — CID 62603094

IUPAC3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-15-10-9-14-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,14H,4,6,8-10H2,1H3
InChIKeySPKFCIWSNNQIPQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.62
Rot. Bonds7

About 3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine

3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62603094) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID62603094
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1ccccc1Br
InChIInChI=1S/C12H18BrNO/c1-15-10-9-14-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,14H,4,6,8-10H2,1H3
InChIKeySPKFCIWSNNQIPQ-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.62
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-(2-methoxyethylamino)propyl]aniline
CID 107274451
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
4-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 64503065
N'-[(3-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 114019833
3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 114606219
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725440
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545
2-[(2-bromophenyl)methoxy]-N-(3-methoxypropyl)propan-1-amine
CID 82825663
3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 55093398

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine (CID 62603094) is 3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is SPKFCIWSNNQIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-15-10-9-14-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,14H,4,6,8-10H2,1H3.
What are the key properties of 3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine?
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62603094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).