(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride

C10H15ClIN — CID 171230114

IUPAC(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1ccccc1I.Cl
InChIInChI=1S/C10H14IN.ClH/c1-2-5-10(12)8-6-3-4-7-9(8)11;/h3-4,6-7,10H,2,5,12H2,1H3;1H/t10-;/m0./s1
InChIKeyITJUOTNRGWVUQZ-PPHPATTJSA-N
MW311.59 g/mol
LogP3.51
Rot. Bonds3

About (1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride

(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride (PubChem CID 171230114) has the molecular formula C10H15ClIN and a molecular weight of 311.59 g/mol. Its IUPAC name is (1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride
PubChem CID171230114
Molecular FormulaC10H15ClIN
Molecular Weight311.59 g/mol
Exact Mass310.99
IUPAC Name(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1ccccc1I.Cl
InChIInChI=1S/C10H14IN.ClH/c1-2-5-10(12)8-6-3-4-7-9(8)11;/h3-4,6-7,10H,2,5,12H2,1H3;1H/t10-;/m0./s1
InChIKeyITJUOTNRGWVUQZ-PPHPATTJSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.59
LogP ≤ 53.51
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

(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
CID 171230144
(1R)-1-(2-iodophenyl)butane-1,4-diamine
CID 171210506
(1R)-1-(2-propan-2-ylphenyl)butan-1-amine
CID 55278414
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-iodophenyl)-3-methylbutan-1-amine
CID 115782664
1-(2-iodophenyl)pent-4-en-1-amine
CID 104987635
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
CID 171269904
1-(2-iodophenyl)-2-methylpentan-1-ol
CID 107894745
methyl (3S)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171243191
methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171249924
(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride (CID 171230114) is (1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride is CCC[C@H](N)c1ccccc1I.Cl.
What is the InChIKey of (1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride?
The InChIKey is ITJUOTNRGWVUQZ-PPHPATTJSA-N. The full InChI is InChI=1S/C10H14IN.ClH/c1-2-5-10(12)8-6-3-4-7-9(8)11;/h3-4,6-7,10H,2,5,12H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride?
(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride has a molecular weight of 311.59 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171230114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).