N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine

C15H24IN — CID 65478140

IUPACN-butyl-N-[(4-iodophenyl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1ccc(I)cc1
InChIInChI=1S/C15H24IN/c1-3-5-11-17(12-6-4-2)13-14-7-9-15(16)10-8-14/h7-10H,3-6,11-13H2,1-2H3
InChIKeyBIDXNVQOHKZRTL-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.69
Rot. Bonds8

About N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine

N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine (PubChem CID 65478140) has the molecular formula C15H24IN and a molecular weight of 345.27 g/mol. Its IUPAC name is N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(4-iodophenyl)methyl]butan-1-amine
PubChem CID65478140
Molecular FormulaC15H24IN
Molecular Weight345.27 g/mol
Exact Mass345.10
IUPAC NameN-butyl-N-[(4-iodophenyl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1ccc(I)cc1
InChIInChI=1S/C15H24IN/c1-3-5-11-17(12-6-4-2)13-14-7-9-15(16)10-8-14/h7-10H,3-6,11-13H2,1-2H3
InChIKeyBIDXNVQOHKZRTL-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-(2-chloroethyl)-N-[(4-methylphenyl)methyl]butan-1-amine
CID 63389176
N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine
CID 65478565
2-chloro-N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]ethanamine;hydrochloride
CID 138398765
N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 63389177
N-[(4-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426449
N-(2-bromoethyl)-N-[(3,4-dimethylphenyl)methyl]butan-1-amine
CID 80672511
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
N-butyl-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]butan-1-amine
CID 112814799

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine (CID 65478140) is N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine is CCCCN(CCCC)Cc1ccc(I)cc1.
What is the InChIKey of N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine?
The InChIKey is BIDXNVQOHKZRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN/c1-3-5-11-17(12-6-4-2)13-14-7-9-15(16)10-8-14/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine?
N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine has a molecular weight of 345.27 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine is sourced from PubChem (CID 65478140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).