3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine

C11H16BrNO — CID 82831550

IUPAC3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
SMILESCNCCCOCc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-13-7-2-8-14-9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3
InChIKeyAKTJXXYZINKHCN-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.58
Rot. Bonds6

About 3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine

3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine (PubChem CID 82831550) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
PubChem CID82831550
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
SMILESCNCCCOCc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-13-7-2-8-14-9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3
InChIKeyAKTJXXYZINKHCN-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
4-[(4-chlorophenyl)methoxy]-N-methylbutan-1-amine
CID 65125313
2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652
2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62457147
1-bromo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799162
N-[5-[(4-bromophenyl)methoxy]pentyl]cyclopropanamine
CID 82831390
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376
[4-[2-(methylamino)ethoxymethyl]phenyl]methanol
CID 106937841
N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine
CID 105350948
N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82825733
N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825017

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine (CID 82831550) is 3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine is CNCCCOCc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine?
The InChIKey is AKTJXXYZINKHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-13-7-2-8-14-9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3.
What are the key properties of 3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine?
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine is sourced from PubChem (CID 82831550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).