N,N-dimethyl-1-phenylpropan-2-amine;iodomethane

C12H20IN — CID 23619188

IUPACN,N-dimethyl-1-phenylpropan-2-amine;iodomethane
SMILESCC(Cc1ccccc1)N(C)C.CI
InChIInChI=1S/C11H17N.CH3I/c1-10(12(2)3)9-11-7-5-4-6-8-11;1-2/h4-8,10H,9H2,1-3H3;1H3
InChIKeyHIXFBNBPORYGIR-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.23
Rot. Bonds3

About N,N-dimethyl-1-phenylpropan-2-amine;iodomethane

N,N-dimethyl-1-phenylpropan-2-amine;iodomethane (PubChem CID 23619188) has the molecular formula C12H20IN and a molecular weight of 305.20 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylpropan-2-amine;iodomethane.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylpropan-2-amine;iodomethane
PubChem CID23619188
Molecular FormulaC12H20IN
Molecular Weight305.20 g/mol
Exact Mass305.06
IUPAC NameN,N-dimethyl-1-phenylpropan-2-amine;iodomethane
SMILESCC(Cc1ccccc1)N(C)C.CI
InChIInChI=1S/C11H17N.CH3I/c1-10(12(2)3)9-11-7-5-4-6-8-11;1-2/h4-8,10H,9H2,1-3H3;1H3
InChIKeyHIXFBNBPORYGIR-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
(2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine
CID 90144903
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
(2R)-N-bromo-N-chloro-1-phenylpropan-2-amine
CID 90999480
N-bromo-N-chloro-1-phenylpropan-2-amine
CID 143939583
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
N-methyl-N-[(2S)-1-phenylpropan-2-yl]carbamoyl chloride
CID 167430953
1-benzyl-1-(1-phenylpropan-2-yl)hydrazine
CID 174361933
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylpropan-2-amine;iodomethane?
The IUPAC name of N,N-dimethyl-1-phenylpropan-2-amine;iodomethane (CID 23619188) is N,N-dimethyl-1-phenylpropan-2-amine;iodomethane.
What is the SMILES notation for N,N-dimethyl-1-phenylpropan-2-amine;iodomethane?
The canonical SMILES for N,N-dimethyl-1-phenylpropan-2-amine;iodomethane is CC(Cc1ccccc1)N(C)C.CI.
What is the InChIKey of N,N-dimethyl-1-phenylpropan-2-amine;iodomethane?
The InChIKey is HIXFBNBPORYGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.CH3I/c1-10(12(2)3)9-11-7-5-4-6-8-11;1-2/h4-8,10H,9H2,1-3H3;1H3.
What are the key properties of N,N-dimethyl-1-phenylpropan-2-amine;iodomethane?
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane has a molecular weight of 305.20 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylpropan-2-amine;iodomethane is sourced from PubChem (CID 23619188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).