N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine

C22H25NO — CID 54804070

IUPACN-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
SMILESCCCCOc1ccc2ccccc2c1CNCc1ccccc1
InChIInChI=1S/C22H25NO/c1-2-3-15-24-22-14-13-19-11-7-8-12-20(19)21(22)17-23-16-18-9-5-4-6-10-18/h4-14,23H,2-3,15-17H2,1H3
InChIKeyYPHXCUJAADGGBL-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.31
Rot. Bonds8

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

N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine (PubChem CID 54804070) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
PubChem CID54804070
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC NameN-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
SMILESCCCCOc1ccc2ccccc2c1CNCc1ccccc1
InChIInChI=1S/C22H25NO/c1-2-3-15-24-22-14-13-19-11-7-8-12-20(19)21(22)17-23-16-18-9-5-4-6-10-18/h4-14,23H,2-3,15-17H2,1H3
InChIKeyYPHXCUJAADGGBL-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.31
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-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine
CID 54804162
1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine
CID 54803956
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine
CID 54849210
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
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]-2-(2-methylphenyl)ethanamine
CID 54807924
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine
CID 54848983

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine (CID 54804070) is N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine is CCCCOc1ccc2ccccc2c1CNCc1ccccc1.
What is the InChIKey of N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine?
The InChIKey is YPHXCUJAADGGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-2-3-15-24-22-14-13-19-11-7-8-12-20(19)21(22)17-23-16-18-9-5-4-6-10-18/h4-14,23H,2-3,15-17H2,1H3.
What are the key properties of N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine?
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylmethanamine has a molecular weight of 319.45 g/mol, XLogP of 5.31, 8 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]-1-phenylmethanamine is sourced from PubChem (CID 54804070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).