N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine

C14H22IN — CID 65488916

IUPACN-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine
SMILESCCCC(CNCC)Cc1ccc(I)cc1
InChIInChI=1S/C14H22IN/c1-3-5-13(11-16-4-2)10-12-6-8-14(15)9-7-12/h6-9,13,16H,3-5,10-11H2,1-2H3
InChIKeyMUJKNZFSDVMOES-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.86
Rot. Bonds7

About N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine

N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine (PubChem CID 65488916) has the molecular formula C14H22IN and a molecular weight of 331.24 g/mol. Its IUPAC name is N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine
PubChem CID65488916
Molecular FormulaC14H22IN
Molecular Weight331.24 g/mol
Exact Mass331.08
IUPAC NameN-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine
SMILESCCCC(CNCC)Cc1ccc(I)cc1
InChIInChI=1S/C14H22IN/c1-3-5-13(11-16-4-2)10-12-6-8-14(15)9-7-12/h6-9,13,16H,3-5,10-11H2,1-2H3
InChIKeyMUJKNZFSDVMOES-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.86
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-methylpentan-1-amine
CID 65488914
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65489511
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 107897120
N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
CID 63522236
2-[(3,4-dimethylphenyl)methyl]-N-propylpentan-1-amine
CID 63497107
2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine
CID 65490309
1-(4-iodophenyl)pentan-2-amine
CID 65478921
1-(4-iodophenyl)pentan-2-ol
CID 65476847
4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62515207
N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
CID 83169392
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 113474166

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine?
The IUPAC name of N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine (CID 65488916) is N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine?
The canonical SMILES for N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine is CCCC(CNCC)Cc1ccc(I)cc1.
What is the InChIKey of N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine?
The InChIKey is MUJKNZFSDVMOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN/c1-3-5-13(11-16-4-2)10-12-6-8-14(15)9-7-12/h6-9,13,16H,3-5,10-11H2,1-2H3.
What are the key properties of N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine?
N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine has a molecular weight of 331.24 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine is sourced from PubChem (CID 65488916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).