[2-(2-methylpentoxy)naphthalen-1-yl]methanamine

C17H23NO — CID 62266046

IUPAC[2-(2-methylpentoxy)naphthalen-1-yl]methanamine
SMILESCCCC(C)COc1ccc2ccccc2c1CN
InChIInChI=1S/C17H23NO/c1-3-6-13(2)12-19-17-10-9-14-7-4-5-8-15(14)16(17)11-18/h4-5,7-10,13H,3,6,11-12,18H2,1-2H3
InChIKeyVOBJJRUWECVWOU-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.11
Rot. Bonds6

About [2-(2-methylpentoxy)naphthalen-1-yl]methanamine

[2-(2-methylpentoxy)naphthalen-1-yl]methanamine (PubChem CID 62266046) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is [2-(2-methylpentoxy)naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpentoxy)naphthalen-1-yl]methanamine
PubChem CID62266046
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name[2-(2-methylpentoxy)naphthalen-1-yl]methanamine
SMILESCCCC(C)COc1ccc2ccccc2c1CN
InChIInChI=1S/C17H23NO/c1-3-6-13(2)12-19-17-10-9-14-7-4-5-8-15(14)16(17)11-18/h4-5,7-10,13H,3,6,11-12,18H2,1-2H3
InChIKeyVOBJJRUWECVWOU-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
[2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine
CID 103282838
[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
CID 65369670
3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 63901440
1-[1-(2-methylpentoxy)naphthalen-2-yl]ethanone
CID 63530568
2-(2-methylpentoxy)aniline
CID 45075234
2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
[2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine
CID 20984389
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
1-[2-(2-methylpentoxy)phenyl]ethanone
CID 62266405
[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]methanamine
CID 20985427

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpentoxy)naphthalen-1-yl]methanamine?
The IUPAC name of [2-(2-methylpentoxy)naphthalen-1-yl]methanamine (CID 62266046) is [2-(2-methylpentoxy)naphthalen-1-yl]methanamine.
What is the SMILES notation for [2-(2-methylpentoxy)naphthalen-1-yl]methanamine?
The canonical SMILES for [2-(2-methylpentoxy)naphthalen-1-yl]methanamine is CCCC(C)COc1ccc2ccccc2c1CN.
What is the InChIKey of [2-(2-methylpentoxy)naphthalen-1-yl]methanamine?
The InChIKey is VOBJJRUWECVWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-6-13(2)12-19-17-10-9-14-7-4-5-8-15(14)16(17)11-18/h4-5,7-10,13H,3,6,11-12,18H2,1-2H3.
What are the key properties of [2-(2-methylpentoxy)naphthalen-1-yl]methanamine?
[2-(2-methylpentoxy)naphthalen-1-yl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpentoxy)naphthalen-1-yl]methanamine is sourced from PubChem (CID 62266046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).