1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine

C19H18IN — CID 63526846

IUPAC1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
SMILESCNC(Cc1ccc2ccccc2c1)c1cccc(I)c1
InChIInChI=1S/C19H18IN/c1-21-19(17-7-4-8-18(20)13-17)12-14-9-10-15-5-2-3-6-16(15)11-14/h2-11,13,19,21H,12H2,1H3
InChIKeySBNJMEKMPUOCNT-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.95
Rot. Bonds4

About 1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine

1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine (PubChem CID 63526846) has the molecular formula C19H18IN and a molecular weight of 387.26 g/mol. Its IUPAC name is 1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
PubChem CID63526846
Molecular FormulaC19H18IN
Molecular Weight387.26 g/mol
Exact Mass387.05
IUPAC Name1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
SMILESCNC(Cc1ccc2ccccc2c1)c1cccc(I)c1
InChIInChI=1S/C19H18IN/c1-21-19(17-7-4-8-18(20)13-17)12-14-9-10-15-5-2-3-6-16(15)11-14/h2-11,13,19,21H,12H2,1H3
InChIKeySBNJMEKMPUOCNT-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 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 ≤ 54.95
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

1-(4-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63526847
2-[2-bromo-2-(3-iodophenyl)ethyl]naphthalene
CID 63544103
2-(3-chlorophenyl)-N-methyl-1-naphthalen-2-ylethanamine
CID 63412161
1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 61063844
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine
CID 105015718
1-(2-fluorophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 61078359
1-(2-bromophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63529102
N-methyl-3-naphthalen-2-yl-1-phenylpropan-1-amine
CID 64500131
N-methyl-1-naphthalen-2-yl-2-pyridin-3-ylethanamine
CID 62791095
1-(3-iodophenyl)-N,5-dimethylhexan-1-amine
CID 105028957
[2-(4-ethylphenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105287837

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine?
The IUPAC name of 1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine (CID 63526846) is 1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine.
What is the SMILES notation for 1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine?
The canonical SMILES for 1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine is CNC(Cc1ccc2ccccc2c1)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine?
The InChIKey is SBNJMEKMPUOCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN/c1-21-19(17-7-4-8-18(20)13-17)12-14-9-10-15-5-2-3-6-16(15)11-14/h2-11,13,19,21H,12H2,1H3.
What are the key properties of 1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine?
1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine has a molecular weight of 387.26 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine is sourced from PubChem (CID 63526846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).