2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine

C12H18BrNO — CID 62529185

IUPAC2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
SMILESCOCCC(CN)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-15-7-6-11(9-14)8-10-2-4-12(13)5-3-10/h2-5,11H,6-9,14H2,1H3
InChIKeyYLANPFXKWITESN-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.60
Rot. Bonds6

About 2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine

2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine (PubChem CID 62529185) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
PubChem CID62529185
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
SMILESCOCCC(CN)Cc1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-15-7-6-11(9-14)8-10-2-4-12(13)5-3-10/h2-5,11H,6-9,14H2,1H3
InChIKeyYLANPFXKWITESN-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591387
2-[(4-bromophenyl)methyl]pentan-1-amine
CID 62505880
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878
1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene
CID 66042497
2-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530373
2-[(3-bromophenyl)methyl]-4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine
CID 104566257
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259
2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butan-1-ol
CID 103184943
2-(4-bromophenyl)-4-methoxybutan-1-amine
CID 79441671
1-bromo-4-[2-(chloromethyl)-3-methoxypropyl]benzene
CID 103985115
2-benzyl-6-methoxyhexan-1-amine
CID 104649139

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine (CID 62529185) is 2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine is COCCC(CN)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine?
The InChIKey is YLANPFXKWITESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-15-7-6-11(9-14)8-10-2-4-12(13)5-3-10/h2-5,11H,6-9,14H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine?
2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.60, 6 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-methoxybutan-1-amine is sourced from PubChem (CID 62529185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).