[3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine

C12H18IN — CID 173453881

IUPAC[3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine
SMILESCCC(C)(C)c1cc(I)cc(CN)c1
InChIInChI=1S/C12H18IN/c1-4-12(2,3)10-5-9(8-14)6-11(13)7-10/h5-7H,4,8,14H2,1-3H3
InChIKeyNXNGPFDBQLCEQF-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.44
Rot. Bonds3

About [3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine

[3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine (PubChem CID 173453881) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is [3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine
PubChem CID173453881
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Name[3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine
SMILESCCC(C)(C)c1cc(I)cc(CN)c1
InChIInChI=1S/C12H18IN/c1-4-12(2,3)10-5-9(8-14)6-11(13)7-10/h5-7H,4,8,14H2,1-3H3
InChIKeyNXNGPFDBQLCEQF-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.44
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

(3,5-diiodophenyl)methanamine;hydrochloride
CID 134096592
[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine
CID 66259187
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
1-ethyl-3-iodo-5-(trifluoromethyl)benzene
CID 154475261
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
2-(aminomethyl)-6-(iodomethylsulfonyl)-4-(2-methylbutan-2-yl)phenol
CID 70481260
[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine
CID 28966135
[2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane
CID 15666236
(2R)-2-(5-iodo-3-pyridinyl)butan-2-ol
CID 125484268
2-[3,5-bis(2-hydroxybutan-2-yl)-4-iodophenyl]butan-2-ol
CID 59095282
2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene
CID 23002700
[3,5-difluoro-4-(2-methylbutan-2-yloxy)phenyl]methanamine
CID 81293219

Frequently Asked Questions

What is the IUPAC name of [3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine?
The IUPAC name of [3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine (CID 173453881) is [3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine?
The canonical SMILES for [3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine is CCC(C)(C)c1cc(I)cc(CN)c1.
What is the InChIKey of [3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine?
The InChIKey is NXNGPFDBQLCEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN/c1-4-12(2,3)10-5-9(8-14)6-11(13)7-10/h5-7H,4,8,14H2,1-3H3.
What are the key properties of [3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine?
[3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine has a molecular weight of 303.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine is sourced from PubChem (CID 173453881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).