1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine

C13H20IN — CID 65478318

IUPAC1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1ccc(I)cc1)C(C)(C)C
InChIInChI=1S/C13H20IN/c1-13(2,3)12(15-4)9-10-5-7-11(14)8-6-10/h5-8,12,15H,9H2,1-4H3
InChIKeyQCVZFYUXBQVNSG-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine

1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine (PubChem CID 65478318) has the molecular formula C13H20IN and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine
PubChem CID65478318
Molecular FormulaC13H20IN
Molecular Weight317.21 g/mol
Exact Mass317.06
IUPAC Name1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(Cc1ccc(I)cc1)C(C)(C)C
InChIInChI=1S/C13H20IN/c1-13(2,3)12(15-4)9-10-5-7-11(14)8-6-10/h5-8,12,15H,9H2,1-4H3
InChIKeyQCVZFYUXBQVNSG-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.47
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

1-[4-(difluoromethylsulfonyl)phenyl]-N,3,3-trimethylbutan-2-amine
CID 63198472
[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105215678
2-[(4-iodophenyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139224
2-hydrazinyl-1-(4-iodophenyl)-N,N,3-trimethylpentan-3-amine
CID 105240562
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine
CID 65477138
1-(4-iodophenyl)-N-methylhexan-2-amine
CID 79405235
(3R)-4-(4-iodophenyl)-3-(methylamino)butanal
CID 166917322
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
2-(tert-butylamino)-3-(4-iodophenyl)propanenitrile
CID 174965029
2-[(4-iodophenyl)methyl]-N-methylbutan-1-amine
CID 65490309

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine (CID 65478318) is 1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine is CNC(Cc1ccc(I)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine?
The InChIKey is QCVZFYUXBQVNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN/c1-13(2,3)12(15-4)9-10-5-7-11(14)8-6-10/h5-8,12,15H,9H2,1-4H3.
What are the key properties of 1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine?
1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine has a molecular weight of 317.21 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 65478318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).