4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline

C17H20IN — CID 43717102

IUPAC4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1cc(I)ccc1NC(C)CCc1ccccc1
InChIInChI=1S/C17H20IN/c1-13-12-16(18)10-11-17(13)19-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,19H,8-9H2,1-2H3
InChIKeyFGPHUMIIYBLUNG-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.03
Rot. Bonds5

About 4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline

4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline (PubChem CID 43717102) has the molecular formula C17H20IN and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
PubChem CID43717102
Molecular FormulaC17H20IN
Molecular Weight365.26 g/mol
Exact Mass365.06
IUPAC Name4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1cc(I)ccc1NC(C)CCc1ccccc1
InChIInChI=1S/C17H20IN/c1-13-12-16(18)10-11-17(13)19-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,19H,8-9H2,1-2H3
InChIKeyFGPHUMIIYBLUNG-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.03
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

4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795
4-iodo-2-nitro-N-(4-phenylbutan-2-yl)aniline
CID 66065690
2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 103585001
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
4-iodo-2-methyl-N-(2-phenylethyl)aniline
CID 43227953
(2S)-2-amino-N-(4-iodo-2-methylphenyl)-4-phenylbutanamide
CID 104983994
5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 107591356
4-iodo-2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43717026
1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea
CID 47186088
2-iodo-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 63421833
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311
1-(4-phenylbutan-2-ylamino)-4-(propan-2-ylamino)anthracene-9,10-dione
CID 22956631

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline?
The IUPAC name of 4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline (CID 43717102) is 4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline.
What is the SMILES notation for 4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline?
The canonical SMILES for 4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline is Cc1cc(I)ccc1NC(C)CCc1ccccc1.
What is the InChIKey of 4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline?
The InChIKey is FGPHUMIIYBLUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN/c1-13-12-16(18)10-11-17(13)19-14(2)8-9-15-6-4-3-5-7-15/h3-7,10-12,14,19H,8-9H2,1-2H3.
What are the key properties of 4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline?
4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline has a molecular weight of 365.26 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline is sourced from PubChem (CID 43717102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).