1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine

C12H18IN — CID 67657815

IUPAC1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(C(C)(C)I)cc1
InChIInChI=1S/C12H18IN/c1-9(14)8-10-4-6-11(7-5-10)12(2,3)13/h4-7,9H,8,14H2,1-3H3
InChIKeyNFMWOXDFOFECRE-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.25
Rot. Bonds3

About 1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine

1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine (PubChem CID 67657815) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine
PubChem CID67657815
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Name1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(C(C)(C)I)cc1
InChIInChI=1S/C12H18IN/c1-9(14)8-10-4-6-11(7-5-10)12(2,3)13/h4-7,9H,8,14H2,1-3H3
InChIKeyNFMWOXDFOFECRE-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
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

1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593
1-[4-(1,1-difluorobutyl)phenyl]propan-2-amine
CID 116992124
1-(4-chlorophenyl)propan-2-amine
CID 3127
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
azane;1-phenylpropan-2-amine
CID 67350534
1-[4-(dichloromethyl)phenyl]propan-2-amine
CID 67566603
1-(4-trimethylsilylphenyl)propan-2-amine
CID 130016681
[4-(2-aminopropyl)phenyl]methanediol
CID 77321990
3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine
CID 63401736

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine (CID 67657815) is 1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(C(C)(C)I)cc1.
What is the InChIKey of 1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine?
The InChIKey is NFMWOXDFOFECRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN/c1-9(14)8-10-4-6-11(7-5-10)12(2,3)13/h4-7,9H,8,14H2,1-3H3.
What are the key properties of 1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine?
1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine has a molecular weight of 303.19 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-iodopropan-2-yl)phenyl]propan-2-amine is sourced from PubChem (CID 67657815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).