N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine

C18H24N2O — CID 130392636

IUPACN-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine
SMILESCc1ccc(CNCCC2COCCN2)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-14-6-7-15(18-5-3-2-4-17(14)18)12-19-9-8-16-13-21-11-10-20-16/h2-7,16,19-20H,8-13H2,1H3
InChIKeySOFREZYEMRWFBI-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.62
Rot. Bonds5

About N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine

N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine (PubChem CID 130392636) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine.

Molecular Properties

Compound NameN-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine
PubChem CID130392636
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine
SMILESCc1ccc(CNCCC2COCCN2)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-14-6-7-15(18-5-3-2-4-17(14)18)12-19-9-8-16-13-21-11-10-20-16/h2-7,16,19-20H,8-13H2,1H3
InChIKeySOFREZYEMRWFBI-UHFFFAOYSA-N
XLogP2.62
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238972
N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238968
N-[(4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238941
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238945
N-[(2-methyl-1H-indol-3-yl)methyl]-1-morpholin-3-ylmethanamine
CID 115238025
N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
CID 115239043
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine
CID 115238964
2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238123
3-(2-phenylethyl)morpholine
CID 54013840
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
2-methyl-N-(2-morpholin-3-ylethyl)-2-pyridin-4-ylpropan-1-amine
CID 115239068
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172657411

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine?
The IUPAC name of N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine (CID 130392636) is N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine.
What is the SMILES notation for N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine?
The canonical SMILES for N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine is Cc1ccc(CNCCC2COCCN2)c2ccccc12.
What is the InChIKey of N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine?
The InChIKey is SOFREZYEMRWFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-6-7-15(18-5-3-2-4-17(14)18)12-19-9-8-16-13-21-11-10-20-16/h2-7,16,19-20H,8-13H2,1H3.
What are the key properties of N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine?
N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine has a molecular weight of 284.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine is sourced from PubChem (CID 130392636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).