(3-bromo-2-decoxyphenyl)methanamine

C17H28BrNO — CID 63500475

IUPAC(3-bromo-2-decoxyphenyl)methanamine
SMILESCCCCCCCCCCOc1c(Br)cccc1CN
InChIInChI=1S/C17H28BrNO/c1-2-3-4-5-6-7-8-9-13-20-17-15(14-19)11-10-12-16(17)18/h10-12H,2-9,13-14,19H2,1H3
InChIKeyQHXXLRUSSPIFPD-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.43
Rot. Bonds11

About (3-bromo-2-decoxyphenyl)methanamine

(3-bromo-2-decoxyphenyl)methanamine (PubChem CID 63500475) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is (3-bromo-2-decoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-decoxyphenyl)methanamine
PubChem CID63500475
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name(3-bromo-2-decoxyphenyl)methanamine
SMILESCCCCCCCCCCOc1c(Br)cccc1CN
InChIInChI=1S/C17H28BrNO/c1-2-3-4-5-6-7-8-9-13-20-17-15(14-19)11-10-12-16(17)18/h10-12H,2-9,13-14,19H2,1H3
InChIKeyQHXXLRUSSPIFPD-UHFFFAOYSA-N
XLogP5.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.43
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

2-(3-bromo-2-decoxyphenyl)ethanamine
CID 63421842
2-(3-bromo-2-nonoxyphenyl)ethanamine
CID 63421758
1,3-dibromo-2-hexoxybenzene
CID 101293505
5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol
CID 62228230
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
1-(3-bromo-2-octoxyphenyl)propan-2-amine
CID 63421974
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
[3-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936766
[3-bromo-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 61484994
[3-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112588134
N-[(3-bromo-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487238

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-decoxyphenyl)methanamine?
The IUPAC name of (3-bromo-2-decoxyphenyl)methanamine (CID 63500475) is (3-bromo-2-decoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-2-decoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-2-decoxyphenyl)methanamine is CCCCCCCCCCOc1c(Br)cccc1CN.
What is the InChIKey of (3-bromo-2-decoxyphenyl)methanamine?
The InChIKey is QHXXLRUSSPIFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-2-3-4-5-6-7-8-9-13-20-17-15(14-19)11-10-12-16(17)18/h10-12H,2-9,13-14,19H2,1H3.
What are the key properties of (3-bromo-2-decoxyphenyl)methanamine?
(3-bromo-2-decoxyphenyl)methanamine has a molecular weight of 342.32 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-decoxyphenyl)methanamine is sourced from PubChem (CID 63500475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).