N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine

C13H20BrNO2 — CID 60970554

IUPACN-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-15(8-3-10-16-2)9-11-17-13-6-4-12(14)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyOITDWWMRRFJLGI-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.80
Rot. Bonds8

About N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine

N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine (PubChem CID 60970554) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
PubChem CID60970554
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-15(8-3-10-16-2)9-11-17-13-6-4-12(14)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyOITDWWMRRFJLGI-UHFFFAOYSA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054
2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
CID 63386918
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine
CID 63007403
3-[2-(4-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 94231255
N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009386
N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62593126
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
3-(4-bromophenoxy)-N,N-di(propan-2-yl)propan-1-amine
CID 5262090
N-[2-(4-bromophenoxy)ethyl]-N-methylformamide
CID 64992570

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine (CID 60970554) is N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine is COCCCN(C)CCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is OITDWWMRRFJLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-15(8-3-10-16-2)9-11-17-13-6-4-12(14)5-7-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine?
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 302.21 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 60970554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).