3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine

C17H22N2O — CID 61430608

IUPAC3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine
SMILESCC1(C)COCCN1Cc1cc2ccccc2cc1N
InChIInChI=1S/C17H22N2O/c1-17(2)12-20-8-7-19(17)11-15-9-13-5-3-4-6-14(13)10-16(15)18/h3-6,9-10H,7-8,11-12,18H2,1-2H3
InChIKeyAPWGMBOJJMLNBQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.03
Rot. Bonds2

About 3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine

3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine (PubChem CID 61430608) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine
PubChem CID61430608
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine
SMILESCC1(C)COCCN1Cc1cc2ccccc2cc1N
InChIInChI=1S/C17H22N2O/c1-17(2)12-20-8-7-19(17)11-15-9-13-5-3-4-6-14(13)10-16(15)18/h3-6,9-10H,7-8,11-12,18H2,1-2H3
InChIKeyAPWGMBOJJMLNBQ-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,3-dimethylmorpholin-4-yl)methyl]aniline
CID 61428614
[3-[(3,3-dimethylmorpholin-4-yl)methyl]quinolin-2-yl]hydrazine
CID 62244968
3-(morpholin-4-ylmethyl)naphthalen-2-amine
CID 61214111
2-amino-4-[(3,3-dimethylmorpholin-4-yl)methyl]phenol
CID 61429705
2-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazol-4-amine
CID 79995381
4-bromo-2-[(3,3-dimethylmorpholin-4-yl)methyl]phenol
CID 82986046
3-[(3,3-dimethylmorpholin-4-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107115386
2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol
CID 82986122
3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-fluorobenzenecarbothioamide
CID 61433214
2-[(3,3-dimethylmorpholin-4-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63293104
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3,3-dimethylmorpholine
CID 114327100
5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62207578

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine?
The IUPAC name of 3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine (CID 61430608) is 3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine is CC1(C)COCCN1Cc1cc2ccccc2cc1N.
What is the InChIKey of 3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine?
The InChIKey is APWGMBOJJMLNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2)12-20-8-7-19(17)11-15-9-13-5-3-4-6-14(13)10-16(15)18/h3-6,9-10H,7-8,11-12,18H2,1-2H3.
What are the key properties of 3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine?
3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylmorpholin-4-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 61430608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).