N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine

C13H20BrNO2 — CID 82825096

IUPACN-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-11(9-16-2)15-7-8-17-10-12-3-5-13(14)6-4-12/h3-6,11,15H,7-10H2,1-2H3
InChIKeyPKUSKNAZIKZSRK-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.59
Rot. Bonds8

About N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine

N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine (PubChem CID 82825096) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine
PubChem CID82825096
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC NameN-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-11(9-16-2)15-7-8-17-10-12-3-5-13(14)6-4-12/h3-6,11,15H,7-10H2,1-2H3
InChIKeyPKUSKNAZIKZSRK-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.59
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

N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825017
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
N-[2-(2,4-dibromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 55093203
1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106450224
N-[2-(4-bromo-2-methylphenoxy)ethyl]-1-methoxypropan-2-amine
CID 55162498
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine
CID 97074820
N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82825733
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine (CID 82825096) is N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine is COCC(C)NCCOCc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine?
The InChIKey is PKUSKNAZIKZSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-11(9-16-2)15-7-8-17-10-12-3-5-13(14)6-4-12/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine?
N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine has a molecular weight of 302.21 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 82825096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).