3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol

C10H13ClINO — CID 130001829

IUPAC3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol
SMILESCC(N)(CCO)c1cc(I)ccc1Cl
InChIInChI=1S/C10H13ClINO/c1-10(13,4-5-14)8-6-7(12)2-3-9(8)11/h2-3,6,14H,4-5,13H2,1H3
InChIKeyFJOCBCCSZIZAJW-UHFFFAOYSA-N
MW325.58 g/mol
LogP2.50
Rot. Bonds3

About 3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol

3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol (PubChem CID 130001829) has the molecular formula C10H13ClINO and a molecular weight of 325.58 g/mol. Its IUPAC name is 3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol
PubChem CID130001829
Molecular FormulaC10H13ClINO
Molecular Weight325.58 g/mol
Exact Mass324.97
IUPAC Name3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol
SMILESCC(N)(CCO)c1cc(I)ccc1Cl
InChIInChI=1S/C10H13ClINO/c1-10(13,4-5-14)8-6-7(12)2-3-9(8)11/h2-3,6,14H,4-5,13H2,1H3
InChIKeyFJOCBCCSZIZAJW-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol
CID 130625511
(3S)-3-amino-3-(2-chloro-4-methylphenyl)butan-1-ol
CID 130615118
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
CID 65239967
(3S)-3-amino-3-(2-iodo-5-methylphenyl)butan-1-ol
CID 130664778
(3S)-3-amino-3-(3-bromo-4-chlorophenyl)butan-1-ol
CID 131215490
(3R)-3-amino-3-(2-iodo-3-methylphenyl)butan-1-ol
CID 130642126
4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol
CID 130673719
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
CID 105394111
4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol
CID 66091467
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
3-amino-3-(2-chloro-6-fluorophenyl)butan-1-ol
CID 82471989

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol?
The IUPAC name of 3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol (CID 130001829) is 3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol.
What is the SMILES notation for 3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol?
The canonical SMILES for 3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol is CC(N)(CCO)c1cc(I)ccc1Cl.
What is the InChIKey of 3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol?
The InChIKey is FJOCBCCSZIZAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClINO/c1-10(13,4-5-14)8-6-7(12)2-3-9(8)11/h2-3,6,14H,4-5,13H2,1H3.
What are the key properties of 3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol?
3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol has a molecular weight of 325.58 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-chloro-5-iodophenyl)butan-1-ol is sourced from PubChem (CID 130001829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).