5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine

C13H20IN — CID 107320214

IUPAC5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine
SMILESCc1ccccc1CNCCCCCI
InChIInChI=1S/C13H20IN/c1-12-7-3-4-8-13(12)11-15-10-6-2-5-9-14/h3-4,7-8,15H,2,5-6,9-11H2,1H3
InChIKeyFOPAECGUKREYPS-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.69
Rot. Bonds7

About 5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine

5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine (PubChem CID 107320214) has the molecular formula C13H20IN and a molecular weight of 317.21 g/mol. Its IUPAC name is 5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine
PubChem CID107320214
Molecular FormulaC13H20IN
Molecular Weight317.21 g/mol
Exact Mass317.06
IUPAC Name5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine
SMILESCc1ccccc1CNCCCCCI
InChIInChI=1S/C13H20IN/c1-12-7-3-4-8-13(12)11-15-10-6-2-5-9-14/h3-4,7-8,15H,2,5-6,9-11H2,1H3
InChIKeyFOPAECGUKREYPS-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methyl]dodecan-1-amine
CID 60663920
N-[(2,5-dimethylphenyl)methyl]-6-iodohexan-1-amine
CID 107844719
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine
CID 107320083
N-(5-iodopentyl)-2-(2-methylphenyl)acetamide
CID 107322612
5-[(2-methylphenyl)methylamino]pentanenitrile
CID 60695206
2,2-dimethyl-6-[(2-methylphenyl)methylamino]hexanenitrile
CID 106709115
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
6-iodo-N-[(4-methylphenyl)methyl]hexan-1-amine
CID 107844979
N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658226
N',N'-dibutyl-N-[(2-methylphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214735
N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine
CID 107320165

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine?
The IUPAC name of 5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine (CID 107320214) is 5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine?
The canonical SMILES for 5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine is Cc1ccccc1CNCCCCCI.
What is the InChIKey of 5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine?
The InChIKey is FOPAECGUKREYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN/c1-12-7-3-4-8-13(12)11-15-10-6-2-5-9-14/h3-4,7-8,15H,2,5-6,9-11H2,1H3.
What are the key properties of 5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine?
5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine has a molecular weight of 317.21 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 107320214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).