(1S)-1-(4-iodo-3-methylphenyl)propan-1-amine

C10H14IN — CID 130664699

IUPAC(1S)-1-(4-iodo-3-methylphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(I)c(C)c1
InChIInChI=1S/C10H14IN/c1-3-10(12)8-4-5-9(11)7(2)6-8/h4-6,10H,3,12H2,1-2H3/t10-/m0/s1
InChIKeyKLTOMWXOYVRURQ-JTQLQIEISA-N
MW275.13 g/mol
LogP3.01
Rot. Bonds2

About (1S)-1-(4-iodo-3-methylphenyl)propan-1-amine

(1S)-1-(4-iodo-3-methylphenyl)propan-1-amine (PubChem CID 130664699) has the molecular formula C10H14IN and a molecular weight of 275.13 g/mol. Its IUPAC name is (1S)-1-(4-iodo-3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-iodo-3-methylphenyl)propan-1-amine
PubChem CID130664699
Molecular FormulaC10H14IN
Molecular Weight275.13 g/mol
Exact Mass275.02
IUPAC Name(1S)-1-(4-iodo-3-methylphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(I)c(C)c1
InChIInChI=1S/C10H14IN/c1-3-10(12)8-4-5-9(11)7(2)6-8/h4-6,10H,3,12H2,1-2H3/t10-/m0/s1
InChIKeyKLTOMWXOYVRURQ-JTQLQIEISA-N
XLogP3.01
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 ≤ 53.01
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

(1R)-1-(3-iodo-4-methylphenyl)propan-1-amine
CID 130737749
(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol
CID 66515891
(1S)-1-(4-iodo-3-methylphenyl)but-3-en-1-amine
CID 130739983
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
(1R,2S)-1-amino-1-(4-iodo-3-methylphenyl)propan-2-ol
CID 130691885
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 82492417
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
5-[(1S)-1-aminopropyl]-2-bromoaniline
CID 130649492
(1S)-1-(4-iodo-3-methoxyphenyl)ethane-1,2-diamine
CID 130741212
carbon dioxide;1-(3-iodophenyl)propan-1-amine
CID 161357167

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-iodo-3-methylphenyl)propan-1-amine?
The IUPAC name of (1S)-1-(4-iodo-3-methylphenyl)propan-1-amine (CID 130664699) is (1S)-1-(4-iodo-3-methylphenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-iodo-3-methylphenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-iodo-3-methylphenyl)propan-1-amine is CC[C@H](N)c1ccc(I)c(C)c1.
What is the InChIKey of (1S)-1-(4-iodo-3-methylphenyl)propan-1-amine?
The InChIKey is KLTOMWXOYVRURQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14IN/c1-3-10(12)8-4-5-9(11)7(2)6-8/h4-6,10H,3,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-iodo-3-methylphenyl)propan-1-amine?
(1S)-1-(4-iodo-3-methylphenyl)propan-1-amine has a molecular weight of 275.13 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-iodo-3-methylphenyl)propan-1-amine is sourced from PubChem (CID 130664699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).