(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine

C11H15ClIN — CID 131172460

IUPAC(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1ccc(Cl)c(I)c1
InChIInChI=1S/C11H15ClIN/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,14H2,1-3H3/t10-/m0/s1
InChIKeyUCSMOCOSXVSREH-JTQLQIEISA-N
MW323.61 g/mol
LogP3.99
Rot. Bonds1

About (1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine

(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 131172460) has the molecular formula C11H15ClIN and a molecular weight of 323.61 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine
PubChem CID131172460
Molecular FormulaC11H15ClIN
Molecular Weight323.61 g/mol
Exact Mass322.99
IUPAC Name(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)[C@@H](N)c1ccc(Cl)c(I)c1
InChIInChI=1S/C11H15ClIN/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,14H2,1-3H3/t10-/m0/s1
InChIKeyUCSMOCOSXVSREH-JTQLQIEISA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.61
LogP ≤ 53.99
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

5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
CID 130042351
(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130974244
(1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 130634470
(1R)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171249553
(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246807
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
CID 171244914
1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
CID 116942155
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 130777230
(2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid
CID 130701560
4-[(1R)-1-amino-2,2-dimethylpropyl]benzene-1,2-diol;hydrochloride
CID 171245558
1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130041973

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine (CID 131172460) is (1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)[C@@H](N)c1ccc(Cl)c(I)c1.
What is the InChIKey of (1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is UCSMOCOSXVSREH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15ClIN/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6,10H,14H2,1-3H3/t10-/m0/s1.
What are the key properties of (1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine?
(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 323.61 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 131172460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).