1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine

C19H18IN — CID 105151939

IUPAC1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine
SMILESNC(Cc1ccc(I)cc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H18IN/c20-18-9-6-14(7-10-18)12-19(21)13-15-5-8-16-3-1-2-4-17(16)11-15/h1-11,19H,12-13,21H2
InChIKeyLJSGNFBUDBVVIC-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.56
Rot. Bonds4

About 1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine

1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine (PubChem CID 105151939) has the molecular formula C19H18IN and a molecular weight of 387.26 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine
PubChem CID105151939
Molecular FormulaC19H18IN
Molecular Weight387.26 g/mol
Exact Mass387.05
IUPAC Name1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine
SMILESNC(Cc1ccc(I)cc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H18IN/c20-18-9-6-14(7-10-18)12-19(21)13-15-5-8-16-3-1-2-4-17(16)11-15/h1-11,19H,12-13,21H2
InChIKeyLJSGNFBUDBVVIC-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.56
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

(2S)-3-naphthalen-2-ylpropane-1,2-diamine
CID 68655255
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
1-(4-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63526847
1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine
CID 65476489
2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene
CID 63544103
1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine
CID 105161829
1-(4-iodophenyl)pentan-2-amine
CID 65478921
tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate
CID 166000692
1-naphthalen-2-yl-5-thiophen-2-ylpentan-2-amine
CID 63526837
2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine
CID 105118863
(2R)-2-amino-3-phenylpropan-1-ol;2-naphthalen-2-yloxynaphthalene
CID 70294493
1-(2-methylcyclopropyl)-2-naphthalen-2-ylethanamine
CID 61079933

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine (CID 105151939) is 1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine is NC(Cc1ccc(I)cc1)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine?
The InChIKey is LJSGNFBUDBVVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN/c20-18-9-6-14(7-10-18)12-19(21)13-15-5-8-16-3-1-2-4-17(16)11-15/h1-11,19H,12-13,21H2.
What are the key properties of 1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine?
1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine has a molecular weight of 387.26 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine is sourced from PubChem (CID 105151939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).