N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine

C24H29NO — CID 54807924

IUPACN-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCCCCOc1ccc2ccccc2c1CNCCc1ccccc1C
InChIInChI=1S/C24H29NO/c1-3-4-17-26-24-14-13-21-11-7-8-12-22(21)23(24)18-25-16-15-20-10-6-5-9-19(20)2/h5-14,25H,3-4,15-18H2,1-2H3
InChIKeyXBQWAXMQYMHQFS-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.66
Rot. Bonds9

About N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine

N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 54807924) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID54807924
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC NameN-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCCCCOc1ccc2ccccc2c1CNCCc1ccccc1C
InChIInChI=1S/C24H29NO/c1-3-4-17-26-24-14-13-21-11-7-8-12-22(21)23(24)18-25-16-15-20-10-6-5-9-19(20)2/h5-14,25H,3-4,15-18H2,1-2H3
InChIKeyXBQWAXMQYMHQFS-UHFFFAOYSA-N
XLogP5.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
N-[(2-butoxynaphthalen-1-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849521
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54804070
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 43505546
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine
CID 54804162
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054879
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807529

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine (CID 54807924) is N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine is CCCCOc1ccc2ccccc2c1CNCCc1ccccc1C.
What is the InChIKey of N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is XBQWAXMQYMHQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-3-4-17-26-24-14-13-21-11-7-8-12-22(21)23(24)18-25-16-15-20-10-6-5-9-19(20)2/h5-14,25H,3-4,15-18H2,1-2H3.
What are the key properties of N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 347.50 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 54807924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).