bromo-(4-propan-2-yloxyphenyl)methanamine

C10H14BrNO — CID 116947610

IUPACbromo-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(C(N)Br)cc1
InChIInChI=1S/C10H14BrNO/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,10H,12H2,1-2H3
InChIKeyWYXKUCUSWKHOLR-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.83
Rot. Bonds3

About bromo-(4-propan-2-yloxyphenyl)methanamine

bromo-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 116947610) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is bromo-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Namebromo-(4-propan-2-yloxyphenyl)methanamine
PubChem CID116947610
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Namebromo-(4-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccc(C(N)Br)cc1
InChIInChI=1S/C10H14BrNO/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,10H,12H2,1-2H3
InChIKeyWYXKUCUSWKHOLR-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine
CID 28973362
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene
CID 63441254
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
1-(1-bromobutyl)-4-propan-2-yloxybenzene
CID 63441208
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol
CID 116942097
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
(4-ethylphenyl)-(4-propan-2-yloxyphenyl)methanamine
CID 43120931

Frequently Asked Questions

What is the IUPAC name of bromo-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of bromo-(4-propan-2-yloxyphenyl)methanamine (CID 116947610) is bromo-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for bromo-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for bromo-(4-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccc(C(N)Br)cc1.
What is the InChIKey of bromo-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is WYXKUCUSWKHOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,10H,12H2,1-2H3.
What are the key properties of bromo-(4-propan-2-yloxyphenyl)methanamine?
bromo-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 244.13 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 116947610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).