N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine

C14H20IN — CID 65491516

IUPACN-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(I)cc2)CCC1
InChIInChI=1S/C14H20IN/c1-2-16-11-14(8-3-9-14)10-12-4-6-13(15)7-5-12/h4-7,16H,2-3,8-11H2,1H3
InChIKeyFHVYGUQRGDOLRK-UHFFFAOYSA-N
MW329.22 g/mol
LogP3.61
Rot. Bonds5

About N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine

N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine (PubChem CID 65491516) has the molecular formula C14H20IN and a molecular weight of 329.22 g/mol. Its IUPAC name is N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine
PubChem CID65491516
Molecular FormulaC14H20IN
Molecular Weight329.22 g/mol
Exact Mass329.06
IUPAC NameN-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(I)cc2)CCC1
InChIInChI=1S/C14H20IN/c1-2-16-11-14(8-3-9-14)10-12-4-6-13(15)7-5-12/h4-7,16H,2-3,8-11H2,1H3
InChIKeyFHVYGUQRGDOLRK-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 53.61
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

N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 62724999
N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55195085
N-[[1-[(3,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 82929520
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508188
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 63507472
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65195044
N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine
CID 116929382
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 116929393
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine (CID 65491516) is N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine is CCNCC1(Cc2ccc(I)cc2)CCC1.
What is the InChIKey of N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine?
The InChIKey is FHVYGUQRGDOLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-2-16-11-14(8-3-9-14)10-12-4-6-13(15)7-5-12/h4-7,16H,2-3,8-11H2,1H3.
What are the key properties of N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine?
N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine has a molecular weight of 329.22 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 65491516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).