[4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine

C15H23INO- — CID 169243484

IUPAC[4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESC[I-]C1CCC(OCc2ccc(CN)cc2)CC1
InChIInChI=1S/C15H23INO/c1-16-14-6-8-15(9-7-14)18-11-13-4-2-12(10-17)3-5-13/h2-5,14-15H,6-11,17H2,1H3/q-1
InChIKeyHIMMZKXOCHQMFJ-UHFFFAOYSA-N
MW360.26 g/mol
LogP-0.31
Rot. Bonds5

About [4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine

[4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine (PubChem CID 169243484) has the molecular formula C15H23INO- and a molecular weight of 360.26 g/mol. Its IUPAC name is [4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine
PubChem CID169243484
Molecular FormulaC15H23INO-
Molecular Weight360.26 g/mol
Exact Mass360.08
IUPAC Name[4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESC[I-]C1CCC(OCc2ccc(CN)cc2)CC1
InChIInChI=1S/C15H23INO/c1-16-14-6-8-15(9-7-14)18-11-13-4-2-12(10-17)3-5-13/h2-5,14-15H,6-11,17H2,1H3/q-1
InChIKeyHIMMZKXOCHQMFJ-UHFFFAOYSA-N
XLogP-0.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
1-iodo-4-[(4-methylcyclohexyl)oxymethyl]benzene
CID 65491519
(4-ethynylcyclohexyl)oxymethylbenzene
CID 168926601
4-(aminomethyl)-N-[4-(cyclopentyloxymethyl)phenyl]benzamide
CID 119330109
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
1-(cyclopropyloxymethyl)-4-nitrobenzene
CID 171836486
4-[(4-chlorophenyl)methoxy]piperidine
CID 13194424
1-[4-(cyclopentyloxymethyl)phenyl]-N-methylmethanamine
CID 62445200
1-(cyclobutyloxymethyl)-4-iodobenzene
CID 65490740
4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
CID 43185253
4-[(3-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807401
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
CID 133054354

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine?
The IUPAC name of [4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine (CID 169243484) is [4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine is C[I-]C1CCC(OCc2ccc(CN)cc2)CC1.
What is the InChIKey of [4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine?
The InChIKey is HIMMZKXOCHQMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23INO/c1-16-14-6-8-15(9-7-14)18-11-13-4-2-12(10-17)3-5-13/h2-5,14-15H,6-11,17H2,1H3/q-1.
What are the key properties of [4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine?
[4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine has a molecular weight of 360.26 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyliodanuidylcyclohexyl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 169243484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).