1-(3-iodophenyl)-4-phenylbutan-1-amine

C16H18IN — CID 115849348

IUPAC1-(3-iodophenyl)-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C16H18IN/c17-15-10-5-9-14(12-15)16(18)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12,16H,4,8,11,18H2
InChIKeyJCSLGLLVHMNLLE-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.31
Rot. Bonds5

About 1-(3-iodophenyl)-4-phenylbutan-1-amine

1-(3-iodophenyl)-4-phenylbutan-1-amine (PubChem CID 115849348) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is 1-(3-iodophenyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3-iodophenyl)-4-phenylbutan-1-amine
PubChem CID115849348
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name1-(3-iodophenyl)-4-phenylbutan-1-amine
SMILESNC(CCCc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C16H18IN/c17-15-10-5-9-14(12-15)16(18)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12,16H,4,8,11,18H2
InChIKeyJCSLGLLVHMNLLE-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.31
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

(1R)-1,4-diphenylbutan-1-amine
CID 7131342
3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
CID 105139782
(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride
CID 171210552
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
(1S)-1-(3-iodophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171230181
1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087
3-amino-3-[3-(3-phenylpropylamino)phenyl]propan-1-ol
CID 67296624
(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264272

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(3-iodophenyl)-4-phenylbutan-1-amine (CID 115849348) is 1-(3-iodophenyl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(3-iodophenyl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(3-iodophenyl)-4-phenylbutan-1-amine is NC(CCCc1ccccc1)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-4-phenylbutan-1-amine?
The InChIKey is JCSLGLLVHMNLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c17-15-10-5-9-14(12-15)16(18)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12,16H,4,8,11,18H2.
What are the key properties of 1-(3-iodophenyl)-4-phenylbutan-1-amine?
1-(3-iodophenyl)-4-phenylbutan-1-amine has a molecular weight of 351.23 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 115849348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).