4-(4-bromo-2-methylphenoxy)pentan-1-amine

C12H18BrNO — CID 63217030

IUPAC4-(4-bromo-2-methylphenoxy)pentan-1-amine
SMILESCc1cc(Br)ccc1OC(C)CCCN
InChIInChI=1S/C12H18BrNO/c1-9-8-11(13)5-6-12(9)15-10(2)4-3-7-14/h5-6,8,10H,3-4,7,14H2,1-2H3
InChIKeyZIDIZJCHYSZUHE-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.26
Rot. Bonds5

About 4-(4-bromo-2-methylphenoxy)pentan-1-amine

4-(4-bromo-2-methylphenoxy)pentan-1-amine (PubChem CID 63217030) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenoxy)pentan-1-amine
PubChem CID63217030
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name4-(4-bromo-2-methylphenoxy)pentan-1-amine
SMILESCc1cc(Br)ccc1OC(C)CCCN
InChIInChI=1S/C12H18BrNO/c1-9-8-11(13)5-6-12(9)15-10(2)4-3-7-14/h5-6,8,10H,3-4,7,14H2,1-2H3
InChIKeyZIDIZJCHYSZUHE-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(5-aminopentan-2-yloxy)-5-bromobenzoate
CID 135304382
2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine
CID 55191488
(3R)-3-(4-bromo-2-methylphenoxy)butanoic acid
CID 103548018
4-(2,4-dichlorophenoxy)pentan-1-amine
CID 62461001
4-bromo-2-methyl-1-(4-methylpentoxy)benzene
CID 83156668
2-(4-bromo-2-methylphenoxy)propanethioamide
CID 63216923
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
O-(4-bromo-2-methylphenyl)hydroxylamine
CID 130500330
(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
3-methyl-4-pentan-2-yloxyaniline
CID 102980374
4-[(4-bromophenyl)methoxy]pentan-1-amine
CID 82831924
2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine
CID 63216997

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenoxy)pentan-1-amine?
The IUPAC name of 4-(4-bromo-2-methylphenoxy)pentan-1-amine (CID 63217030) is 4-(4-bromo-2-methylphenoxy)pentan-1-amine.
What is the SMILES notation for 4-(4-bromo-2-methylphenoxy)pentan-1-amine?
The canonical SMILES for 4-(4-bromo-2-methylphenoxy)pentan-1-amine is Cc1cc(Br)ccc1OC(C)CCCN.
What is the InChIKey of 4-(4-bromo-2-methylphenoxy)pentan-1-amine?
The InChIKey is ZIDIZJCHYSZUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-9-8-11(13)5-6-12(9)15-10(2)4-3-7-14/h5-6,8,10H,3-4,7,14H2,1-2H3.
What are the key properties of 4-(4-bromo-2-methylphenoxy)pentan-1-amine?
4-(4-bromo-2-methylphenoxy)pentan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenoxy)pentan-1-amine is sourced from PubChem (CID 63217030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).