(2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine

C11H16IN — CID 90144903

IUPAC(2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cc1cccc(I)c1)N(C)C
InChIInChI=1S/C11H16IN/c1-9(13(2)3)7-10-5-4-6-11(12)8-10/h4-6,8-9H,7H2,1-3H3/t9-/m1/s1
InChIKeyPLEQNNTWJKZECI-SECBINFHSA-N
MW289.16 g/mol
LogP2.78
Rot. Bonds3

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

(2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine (PubChem CID 90144903) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is (2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine
PubChem CID90144903
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name(2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cc1cccc(I)c1)N(C)C
InChIInChI=1S/C11H16IN/c1-9(13(2)3)7-10-5-4-6-11(12)8-10/h4-6,8-9H,7H2,1-3H3/t9-/m1/s1
InChIKeyPLEQNNTWJKZECI-SECBINFHSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-3-(2-methylpropyl)benzene
CID 18417600
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
1-iodo-3-(2-nitropropyl)benzene
CID 135070744
2-(3-iodophenyl)-1-methoxyethanol
CID 163737603
4-[2-(dimethylamino)propyl]benzene-1,2-diol;hydrobromide
CID 90672352
N,N-dimethyl-1-[3-(2-methylphenoxy)phenyl]propan-2-amine
CID 150548466
N,N-dimethyl-1-(3-naphthalen-1-yloxyphenyl)propan-2-amine;hydrochloride
CID 175007063
1-(chloromethyl)-3-iodobenzene
CID 13059978
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
1-iodo-3-octylbenzene
CID 134966058
[3-[2-(dimethylamino)propyl]phenyl] 4-methylbenzenesulfonate
CID 23034261

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine?
The IUPAC name of (2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine (CID 90144903) is (2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for (2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine is C[C@H](Cc1cccc(I)c1)N(C)C.
What is the InChIKey of (2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine?
The InChIKey is PLEQNNTWJKZECI-SECBINFHSA-N. The full InChI is InChI=1S/C11H16IN/c1-9(13(2)3)7-10-5-4-6-11(12)8-10/h4-6,8-9H,7H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine?
(2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine has a molecular weight of 289.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 90144903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).