N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine

C17H19N3 — CID 61315945

IUPACN-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1nccn1C
InChIInChI=1S/C17H19N3/c1-3-18-16(17-19-10-11-20(17)2)15-9-8-13-6-4-5-7-14(13)12-15/h4-12,16,18H,3H2,1-2H3
InChIKeyZSWBWLMKUJJDOG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.27
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine

N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine (PubChem CID 61315945) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
PubChem CID61315945
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1nccn1C
InChIInChI=1S/C17H19N3/c1-3-18-16(17-19-10-11-20(17)2)15-9-8-13-6-4-5-7-14(13)12-15/h4-12,16,18H,3H2,1-2H3
InChIKeyZSWBWLMKUJJDOG-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 63977090
N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114022999
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569
N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 61315754
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine
CID 62717263
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316328
N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 82800505
1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 138961359
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine (CID 61315945) is N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine is CCNC(c1ccc2ccccc2c1)c1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine?
The InChIKey is ZSWBWLMKUJJDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-18-16(17-19-10-11-20(17)2)15-9-8-13-6-4-5-7-14(13)12-15/h4-12,16,18H,3H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine?
N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine is sourced from PubChem (CID 61315945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).