1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine

C19H18INO — CID 19884902

IUPAC1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine
SMILESNC(CCOc1ccc2ccccc2c1)c1ccccc1I
InChIInChI=1S/C19H18INO/c20-18-8-4-3-7-17(18)19(21)11-12-22-16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13,19H,11-12,21H2
InChIKeyQXIXLMDLOWQHTM-UHFFFAOYSA-N
MW403.26 g/mol
LogP4.91
Rot. Bonds5

About 1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine

1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine (PubChem CID 19884902) has the molecular formula C19H18INO and a molecular weight of 403.26 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine
PubChem CID19884902
Molecular FormulaC19H18INO
Molecular Weight403.26 g/mol
Exact Mass403.04
IUPAC Name1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine
SMILESNC(CCOc1ccc2ccccc2c1)c1ccccc1I
InChIInChI=1S/C19H18INO/c20-18-8-4-3-7-17(18)19(21)11-12-22-16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13,19H,11-12,21H2
InChIKeyQXIXLMDLOWQHTM-UHFFFAOYSA-N
XLogP4.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-naphthalen-2-yloxybutanenitrile
CID 55143146
(1R)-1-(2-iodophenyl)butane-1,4-diamine
CID 171210506
2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine
CID 82138221
methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604
CID 58761521
CID 58761521
(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride
CID 171230114
(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
CID 171230144
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168
1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride
CID 19884904
2-ethoxynaphthalene
CID 118978197
methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
CID 63041601
1-(2-iodophenyl)pent-4-en-1-amine
CID 104987635

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine?
The IUPAC name of 1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine (CID 19884902) is 1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine.
What is the SMILES notation for 1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine?
The canonical SMILES for 1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine is NC(CCOc1ccc2ccccc2c1)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine?
The InChIKey is QXIXLMDLOWQHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18INO/c20-18-8-4-3-7-17(18)19(21)11-12-22-16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13,19H,11-12,21H2.
What are the key properties of 1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine?
1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine has a molecular weight of 403.26 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine is sourced from PubChem (CID 19884902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).