3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine

C19H24IN — CID 65477714

IUPAC3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine
SMILESCCC(CC)(c1ccccc1)C(N)Cc1ccc(I)cc1
InChIInChI=1S/C19H24IN/c1-3-19(4-2,16-8-6-5-7-9-16)18(21)14-15-10-12-17(20)13-11-15/h5-13,18H,3-4,14,21H2,1-2H3
InChIKeyPPMQUKYEXDSIJQ-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.92
Rot. Bonds6

About 3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine

3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine (PubChem CID 65477714) has the molecular formula C19H24IN and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine
PubChem CID65477714
Molecular FormulaC19H24IN
Molecular Weight393.31 g/mol
Exact Mass393.10
IUPAC Name3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine
SMILESCCC(CC)(c1ccccc1)C(N)Cc1ccc(I)cc1
InChIInChI=1S/C19H24IN/c1-3-19(4-2,16-8-6-5-7-9-16)18(21)14-15-10-12-17(20)13-11-15/h5-13,18H,3-4,14,21H2,1-2H3
InChIKeyPPMQUKYEXDSIJQ-UHFFFAOYSA-N
XLogP4.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.92
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-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine
CID 63417545
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine
CID 63417946
2-benzyl-3-ethyl-3-phenylpentanoic acid
CID 175010628
3-methyl-1,3-diphenylbutan-2-amine
CID 63086399
3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
1-ethoxy-4-ethyl-4-phenylhexan-3-amine
CID 114992855
4-amino-3-ethyl-3-phenylhexanoic acid
CID 66096689
3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine
CID 79752293
2-benzyl-3-[(4-iodophenyl)methyl]butanedioic acid
CID 21364662

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine?
The IUPAC name of 3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine (CID 65477714) is 3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine?
The canonical SMILES for 3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine is CCC(CC)(c1ccccc1)C(N)Cc1ccc(I)cc1.
What is the InChIKey of 3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine?
The InChIKey is PPMQUKYEXDSIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24IN/c1-3-19(4-2,16-8-6-5-7-9-16)18(21)14-15-10-12-17(20)13-11-15/h5-13,18H,3-4,14,21H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine?
3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine has a molecular weight of 393.31 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine is sourced from PubChem (CID 65477714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).