(1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine

C11H15BrIN — CID 130634470

IUPAC(1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1ccc(Br)c(I)c1
InChIInChI=1S/C11H15BrIN/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,14H2,1-3H3/t10-/m1/s1
InChIKeyHWWGEGNNHGODBH-SNVBAGLBSA-N
MW368.06 g/mol
LogP4.10
Rot. Bonds1

About (1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine

(1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 130634470) has the molecular formula C11H15BrIN and a molecular weight of 368.06 g/mol. Its IUPAC name is (1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine
PubChem CID130634470
Molecular FormulaC11H15BrIN
Molecular Weight368.06 g/mol
Exact Mass366.94
IUPAC Name(1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@H](N)c1ccc(Br)c(I)c1
InChIInChI=1S/C11H15BrIN/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,14H2,1-3H3/t10-/m1/s1
InChIKeyHWWGEGNNHGODBH-SNVBAGLBSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.06
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 131172460
(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 130731554
4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline
CID 130043041
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
CID 171244914
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
CID 130042351
1-(3-bromo-4-iodophenyl)ethanamine
CID 126971704
4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171246271
4-[(1R)-1-amino-2,2-dimethylpropyl]benzene-1,2-diol;hydrochloride
CID 171245558
4-[(1S)-1-amino-2,2-dimethylpropyl]benzene-1,2-diol;hydrochloride
CID 171238841
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine (CID 130634470) is (1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@H](N)c1ccc(Br)c(I)c1.
What is the InChIKey of (1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is HWWGEGNNHGODBH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15BrIN/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,14H2,1-3H3/t10-/m1/s1.
What are the key properties of (1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine?
(1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 368.06 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 130634470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).