1-(5-iodo-2-methylphenyl)propan-2-amine

C10H14IN — CID 130041396

IUPAC1-(5-iodo-2-methylphenyl)propan-2-amine
SMILESCc1ccc(I)cc1CC(C)N
InChIInChI=1S/C10H14IN/c1-7-3-4-10(11)6-9(7)5-8(2)12/h3-4,6,8H,5,12H2,1-2H3
InChIKeyHXWSTVJFYFCSMU-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.49
Rot. Bonds2

About 1-(5-iodo-2-methylphenyl)propan-2-amine

1-(5-iodo-2-methylphenyl)propan-2-amine (PubChem CID 130041396) has the molecular formula C10H14IN and a molecular weight of 275.13 g/mol. Its IUPAC name is 1-(5-iodo-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-iodo-2-methylphenyl)propan-2-amine
PubChem CID130041396
Molecular FormulaC10H14IN
Molecular Weight275.13 g/mol
Exact Mass275.02
IUPAC Name1-(5-iodo-2-methylphenyl)propan-2-amine
SMILESCc1ccc(I)cc1CC(C)N
InChIInChI=1S/C10H14IN/c1-7-3-4-10(11)6-9(7)5-8(2)12/h3-4,6,8H,5,12H2,1-2H3
InChIKeyHXWSTVJFYFCSMU-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.49
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

(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine
CID 130617491
2-amino-3-(5-iodo-2-methylphenyl)propanoic acid
CID 130041752
2-(2-aminopropyl)-4-iodo-6-methylphenol
CID 14265625
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine
CID 117299446
(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine
CID 131014197
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine
CID 130782192
2-(3-bromopropyl)-4-iodo-1-methylbenzene
CID 118825169
1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine
CID 167705382
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-amine
CID 117292036
(1S,2S)-1-amino-1-(5-iodo-2-methylphenyl)propan-2-ol
CID 130701477

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(5-iodo-2-methylphenyl)propan-2-amine (CID 130041396) is 1-(5-iodo-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-iodo-2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-iodo-2-methylphenyl)propan-2-amine is Cc1ccc(I)cc1CC(C)N.
What is the InChIKey of 1-(5-iodo-2-methylphenyl)propan-2-amine?
The InChIKey is HXWSTVJFYFCSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN/c1-7-3-4-10(11)6-9(7)5-8(2)12/h3-4,6,8H,5,12H2,1-2H3.
What are the key properties of 1-(5-iodo-2-methylphenyl)propan-2-amine?
1-(5-iodo-2-methylphenyl)propan-2-amine has a molecular weight of 275.13 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 130041396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).