[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine

C11H16BrNO — CID 155398742

IUPAC[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(C(C)(C)Br)cc1CN
InChIInChI=1S/C11H16BrNO/c1-11(2,12)9-4-5-10(14-3)8(6-9)7-13/h4-6H,7,13H2,1-3H3
InChIKeyUKVWPWCHZPPZOU-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.78
Rot. Bonds3

About [5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine

[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine (PubChem CID 155398742) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is [5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine
PubChem CID155398742
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine
SMILESCOc1ccc(C(C)(C)Br)cc1CN
InChIInChI=1S/C11H16BrNO/c1-11(2,12)9-4-5-10(14-3)8(6-9)7-13/h4-6H,7,13H2,1-3H3
InChIKeyUKVWPWCHZPPZOU-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
CID 89164345
CID 89164345
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
2-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 116931067
N-(bromomethyl)-1-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 115261853
[2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
CID 66523622
2-(bromomethyl)-4-[2-[3-(bromomethyl)-4-methoxyphenyl]propan-2-yl]-1-methylbenzene
CID 20821575
2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
CID 116843348
1-(5-tert-butyl-2-methoxyphenyl)-N-methoxymethanamine
CID 117320541
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine?
The IUPAC name of [5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine (CID 155398742) is [5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine is COc1ccc(C(C)(C)Br)cc1CN.
What is the InChIKey of [5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine?
The InChIKey is UKVWPWCHZPPZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,12)9-4-5-10(14-3)8(6-9)7-13/h4-6H,7,13H2,1-3H3.
What are the key properties of [5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine?
[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine has a molecular weight of 258.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine is sourced from PubChem (CID 155398742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).