2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine

C22H25NO — CID 123706819

IUPAC2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine
SMILESCCC(C)(N)c1ccc(-c2c(COC)ccc3ccccc23)cc1
InChIInChI=1S/C22H25NO/c1-4-22(2,23)19-13-11-17(12-14-19)21-18(15-24-3)10-9-16-7-5-6-8-20(16)21/h5-14H,4,15,23H2,1-3H3
InChIKeyGZKZXOMVUPLBOY-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.24
Rot. Bonds5

About 2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine

2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine (PubChem CID 123706819) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine.

Molecular Properties

Compound Name2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine
PubChem CID123706819
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine
SMILESCCC(C)(N)c1ccc(-c2c(COC)ccc3ccccc23)cc1
InChIInChI=1S/C22H25NO/c1-4-22(2,23)19-13-11-17(12-14-19)21-18(15-24-3)10-9-16-7-5-6-8-20(16)21/h5-14H,4,15,23H2,1-3H3
InChIKeyGZKZXOMVUPLBOY-UHFFFAOYSA-N
XLogP5.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-Dimethyl-benzyloxymethyl)-2-naphthalen-2-yl-ethylamine
CID 19003143
1-(2,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethylamine
CID 44299750
(2S)-1-[(3,5-dimethylphenyl)methoxy]-3-naphthalen-2-ylpropan-2-amine
CID 44346550
N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine
CID 59570725
1-(3,5-Dimethyl-benzyloxymethyl)-2-naphthalen-1-yl-ethylamine
CID 19003165
3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 44156113
(2S,3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68769963
Anthracene, 9-(methoxymethyl)-
CID 9813273
9-(Methoxymethyl)phenanthrene
CID 15557052
alpha-(Trifluoromethyl)-alpha-methoxynaphthalene-2-methanamine
CID 58611148
2-[(3,5-Dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
CID 21202079
2-[4-(Methoxymethyl)phenyl]propan-2-amine
CID 117278172

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine?
The IUPAC name of 2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine (CID 123706819) is 2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine.
What is the SMILES notation for 2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine?
The canonical SMILES for 2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine is CCC(C)(N)c1ccc(-c2c(COC)ccc3ccccc23)cc1.
What is the InChIKey of 2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine?
The InChIKey is GZKZXOMVUPLBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-4-22(2,23)19-13-11-17(12-14-19)21-18(15-24-3)10-9-16-7-5-6-8-20(16)21/h5-14H,4,15,23H2,1-3H3.
What are the key properties of 2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine?
2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine has a molecular weight of 319.45 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methoxymethyl)naphthalen-1-yl]phenyl]butan-2-amine is sourced from PubChem (CID 123706819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).