1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol

C14H22INO — CID 66181180

IUPAC1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1ccc(I)cc1
InChIInChI=1S/C14H22INO/c1-11(2)8-14(3,17)10-16-9-12-4-6-13(15)7-5-12/h4-7,11,16-17H,8-10H2,1-3H3
InChIKeyRHIBSBXRFVTBIP-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.18
Rot. Bonds6

About 1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol

1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol (PubChem CID 66181180) has the molecular formula C14H22INO and a molecular weight of 347.24 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol
PubChem CID66181180
Molecular FormulaC14H22INO
Molecular Weight347.24 g/mol
Exact Mass347.07
IUPAC Name1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCc1ccc(I)cc1
InChIInChI=1S/C14H22INO/c1-11(2)8-14(3,17)10-16-9-12-4-6-13(15)7-5-12/h4-7,11,16-17H,8-10H2,1-3H3
InChIKeyRHIBSBXRFVTBIP-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.18
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

2,4-dimethyl-1-[(4-propan-2-ylphenyl)methylamino]pentan-2-ol
CID 66178707
1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol
CID 65478827
2,4-dimethyl-1-[(4-methyl-3-nitrophenyl)methylamino]pentan-2-ol
CID 66179326
1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,4-dimethylpentan-2-ol
CID 66179768
2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol
CID 66179115
1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
CID 104797006
1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66417504
2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
CID 66178191
1-[(5-bromofuran-2-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66178579
1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 116648440
4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol
CID 103748411
4-chloro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]phenol
CID 66179486

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol (CID 66181180) is 1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNCc1ccc(I)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is RHIBSBXRFVTBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INO/c1-11(2)8-14(3,17)10-16-9-12-4-6-13(15)7-5-12/h4-7,11,16-17H,8-10H2,1-3H3.
What are the key properties of 1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol?
1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 347.24 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66181180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).