N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine

C19H18IN — CID 68766120

IUPACN-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCc1ccccc1I)c1cccc2ccccc12
InChIInChI=1S/C19H18IN/c1-14(21-13-16-8-3-5-12-19(16)20)17-11-6-9-15-7-2-4-10-18(15)17/h2-12,14,21H,13H2,1H3
InChIKeyVFSODMWJCYXVIO-UHFFFAOYSA-N
MW387.26 g/mol
LogP5.30
Rot. Bonds4

About N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine

N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 68766120) has the molecular formula C19H18IN and a molecular weight of 387.26 g/mol. Its IUPAC name is N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID68766120
Molecular FormulaC19H18IN
Molecular Weight387.26 g/mol
Exact Mass387.05
IUPAC NameN-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCc1ccccc1I)c1cccc2ccccc12
InChIInChI=1S/C19H18IN/c1-14(21-13-16-8-3-5-12-19(16)20)17-11-6-9-15-7-2-4-10-18(15)17/h2-12,14,21H,13H2,1H3
InChIKeyVFSODMWJCYXVIO-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.26
LogP ≤ 55.30
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

[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 102221604
2-[(1S)-1-[2-[[[(1S)-1-naphthalen-1-ylethyl]amino]methyl]anilino]ethyl]phenol
CID 71049454
[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfinylphenyl]methanol
CID 101480064
N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 143626004
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136
(1R)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624665
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624473
[2-[2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]sulfanylphenyl]methyl acetate
CID 102221605
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine (CID 68766120) is N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine is CC(NCc1ccccc1I)c1cccc2ccccc12.
What is the InChIKey of N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is VFSODMWJCYXVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN/c1-14(21-13-16-8-3-5-12-19(16)20)17-11-6-9-15-7-2-4-10-18(15)17/h2-12,14,21H,13H2,1H3.
What are the key properties of N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine?
N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 387.26 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 68766120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).