(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride

C11H17ClIN — CID 171243215

IUPAC(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@H](N)c1cccc(I)c1.Cl
InChIInChI=1S/C11H16IN.ClH/c1-11(2,3)10(13)8-5-4-6-9(12)7-8;/h4-7,10H,13H2,1-3H3;1H/t10-;/m1./s1
InChIKeyPGMGGMSTHPDRJC-HNCPQSOCSA-N
MW325.62 g/mol
LogP3.76
Rot. Bonds1

About (1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride

(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 171243215) has the molecular formula C11H17ClIN and a molecular weight of 325.62 g/mol. Its IUPAC name is (1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID171243215
Molecular FormulaC11H17ClIN
Molecular Weight325.62 g/mol
Exact Mass325.01
IUPAC Name(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCC(C)(C)[C@H](N)c1cccc(I)c1.Cl
InChIInChI=1S/C11H16IN.ClH/c1-11(2,3)10(13)8-5-4-6-9(12)7-8;/h4-7,10H,13H2,1-3H3;1H/t10-;/m1./s1
InChIKeyPGMGGMSTHPDRJC-HNCPQSOCSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 53.76
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

methyl (3S)-3-amino-3-(3-iodophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171249940
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716
3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
3-(1-amino-2,2-dimethylpropyl)-N-methylaniline
CID 116936648
(1R)-2,2-dimethyl-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171246480
(1S)-1-(3-iodophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171230181
(1S)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241676
(1R)-1-[3-(difluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171248398
(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625266
(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine
CID 130628960

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride (CID 171243215) is (1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride is CC(C)(C)[C@H](N)c1cccc(I)c1.Cl.
What is the InChIKey of (1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is PGMGGMSTHPDRJC-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H16IN.ClH/c1-11(2,3)10(13)8-5-4-6-9(12)7-8;/h4-7,10H,13H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride?
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 325.62 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171243215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).