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

C19H18IN — CID 68867683

IUPACN-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine
SMILESIc1cccc(CNCCc2cccc3ccccc23)c1
InChIInChI=1S/C19H18IN/c20-18-9-3-5-15(13-18)14-21-12-11-17-8-4-7-16-6-1-2-10-19(16)17/h1-10,13,21H,11-12,14H2
InChIKeyPDBPVRKMFQSZNM-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.78
Rot. Bonds5

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

N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine (PubChem CID 68867683) has the molecular formula C19H18IN and a molecular weight of 387.26 g/mol. Its IUPAC name is N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine
PubChem CID68867683
Molecular FormulaC19H18IN
Molecular Weight387.26 g/mol
Exact Mass387.05
IUPAC NameN-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine
SMILESIc1cccc(CNCCc2cccc3ccccc23)c1
InChIInChI=1S/C19H18IN/c20-18-9-3-5-15(13-18)14-21-12-11-17-8-4-7-16-6-1-2-10-19(16)17/h1-10,13,21H,11-12,14H2
InChIKeyPDBPVRKMFQSZNM-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine
CID 170604513
(2-naphthalen-1-ylethylamino)methanol
CID 115229403
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine
CID 87606018
3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide
CID 100514262
3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine
CID 115214333
N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(6-fluoronaphthalen-1-yl)ethanamine
CID 141399468
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline
CID 115211996
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine?
The IUPAC name of N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine (CID 68867683) is N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine?
The canonical SMILES for N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine is Ic1cccc(CNCCc2cccc3ccccc23)c1.
What is the InChIKey of N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine?
The InChIKey is PDBPVRKMFQSZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN/c20-18-9-3-5-15(13-18)14-21-12-11-17-8-4-7-16-6-1-2-10-19(16)17/h1-10,13,21H,11-12,14H2.
What are the key properties of N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine?
N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine has a molecular weight of 387.26 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 68867683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).