2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine

C14H22IN — CID 65477138

IUPAC2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine
SMILESCNCC(Cc1ccc(I)cc1)CC(C)C
InChIInChI=1S/C14H22IN/c1-11(2)8-13(10-16-3)9-12-4-6-14(15)7-5-12/h4-7,11,13,16H,8-10H2,1-3H3
InChIKeyFQIBZKPUNHDXJA-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.72
Rot. Bonds6

About 2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine

2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine (PubChem CID 65477138) has the molecular formula C14H22IN and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine
PubChem CID65477138
Molecular FormulaC14H22IN
Molecular Weight331.24 g/mol
Exact Mass331.08
IUPAC Name2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine
SMILESCNCC(Cc1ccc(I)cc1)CC(C)C
InChIInChI=1S/C14H22IN/c1-11(2)8-13(10-16-3)9-12-4-6-14(15)7-5-12/h4-7,11,13,16H,8-10H2,1-3H3
InChIKeyFQIBZKPUNHDXJA-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.72
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

2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine
CID 65490309
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
2-[(4-iodophenyl)methyl]-N-methylpentan-1-amine
CID 65488914
N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
CID 116931795
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)-N-methylpropan-1-amine
CID 65490315
N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63496037
4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 113382938
N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63497991
1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine
CID 65478318
(2S)-1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
CID 6603875
1-(4-iodophenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586957

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine?
The IUPAC name of 2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine (CID 65477138) is 2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine?
The canonical SMILES for 2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine is CNCC(Cc1ccc(I)cc1)CC(C)C.
What is the InChIKey of 2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine?
The InChIKey is FQIBZKPUNHDXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN/c1-11(2)8-13(10-16-3)9-12-4-6-14(15)7-5-12/h4-7,11,13,16H,8-10H2,1-3H3.
What are the key properties of 2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine?
2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine has a molecular weight of 331.24 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 65477138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).