2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine

C13H20BrNO — CID 62514878

IUPAC2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
SMILESCNCC(CCOC)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-15-10-12(7-8-16-2)9-11-3-5-13(14)6-4-11/h3-6,12,15H,7-10H2,1-2H3
InChIKeyYTQLIVPXGVKUEB-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.86
Rot. Bonds7

About 2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine

2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine (PubChem CID 62514878) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
PubChem CID62514878
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
SMILESCNCC(CCOC)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-15-10-12(7-8-16-2)9-11-3-5-13(14)6-4-11/h3-6,12,15H,7-10H2,1-2H3
InChIKeyYTQLIVPXGVKUEB-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
CID 62529185
2-[(4-bromophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515575
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine
CID 62516781
1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene
CID 66042497
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519
2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine
CID 63521178
2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butan-1-ol
CID 103184943
1-bromo-4-[2-(chloromethyl)-3-methoxypropyl]benzene
CID 103985115
2-[(4-bromophenyl)methyl]-4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 62516439
2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
CID 55135216

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine (CID 62514878) is 2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine is CNCC(CCOC)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine?
The InChIKey is YTQLIVPXGVKUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-15-10-12(7-8-16-2)9-11-3-5-13(14)6-4-11/h3-6,12,15H,7-10H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine?
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 62514878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).