1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine

C25H31NO2 — CID 54804645

IUPAC1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
SMILESCOCCOc1ccc2ccccc2c1CNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H31NO2/c1-25(2,3)21-12-9-19(10-13-21)17-26-18-23-22-8-6-5-7-20(22)11-14-24(23)28-16-15-27-4/h5-14,26H,15-18H2,1-4H3
InChIKeyDJQCDNLWGAHKIX-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.45
Rot. Bonds8

About 1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine

1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine (PubChem CID 54804645) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
PubChem CID54804645
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
SMILESCOCCOc1ccc2ccccc2c1CNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H31NO2/c1-25(2,3)21-12-9-19(10-13-21)17-26-18-23-22-8-6-5-7-20(22)11-14-24(23)28-16-15-27-4/h5-14,26H,15-18H2,1-4H3
InChIKeyDJQCDNLWGAHKIX-UHFFFAOYSA-N
XLogP5.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.45
H-Bond Donors ≤ 51
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-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 43505546
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930
1-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54849395
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine
CID 54804539
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053735
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine
CID 54803956
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053734
2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053617
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522
3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63057433

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine (CID 54804645) is 1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine is COCCOc1ccc2ccccc2c1CNCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine?
The InChIKey is DJQCDNLWGAHKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c1-25(2,3)21-12-9-19(10-13-21)17-26-18-23-22-8-6-5-7-20(22)11-14-24(23)28-16-15-27-4/h5-14,26H,15-18H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine?
1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine has a molecular weight of 377.53 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine is sourced from PubChem (CID 54804645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).