2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine

C14H22BrNO3 — CID 104708487

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)Oc1ccc(OC)cc1Br
InChIInChI=1S/C14H22BrNO3/c1-11(10-16-7-4-8-17-2)19-14-6-5-12(18-3)9-13(14)15/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyTWXSTXKBTFWKMV-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.85
Rot. Bonds9

About 2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine

2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine (PubChem CID 104708487) has the molecular formula C14H22BrNO3 and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
PubChem CID104708487
Molecular FormulaC14H22BrNO3
Molecular Weight332.24 g/mol
Exact Mass331.08
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)Oc1ccc(OC)cc1Br
InChIInChI=1S/C14H22BrNO3/c1-11(10-16-7-4-8-17-2)19-14-6-5-12(18-3)9-13(14)15/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyTWXSTXKBTFWKMV-UHFFFAOYSA-N
XLogP2.85
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
N-[3-(2-bromo-4-methoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 104708357
2-(2,4-dimethylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571165
2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571399
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118316335
2-bromo-4-methoxy-1-pent-4-en-2-yloxybenzene
CID 118325435
2-(4-bromo-3-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 83140097
N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine
CID 62570990
N-(3-methoxypropyl)-2-pyridin-3-yloxypropan-1-amine
CID 62583823
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 104708465

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine (CID 104708487) is 2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine is COCCCNCC(C)Oc1ccc(OC)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine?
The InChIKey is TWXSTXKBTFWKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3/c1-11(10-16-7-4-8-17-2)19-14-6-5-12(18-3)9-13(14)15/h5-6,9,11,16H,4,7-8,10H2,1-3H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine?
2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine has a molecular weight of 332.24 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-(3-methoxypropyl)propan-1-amine is sourced from PubChem (CID 104708487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).