N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine

C23H27NO — CID 54804162

IUPACN-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine
SMILESCCCCOc1ccc2ccccc2c1CNCc1cccc(C)c1
InChIInChI=1S/C23H27NO/c1-3-4-14-25-23-13-12-20-10-5-6-11-21(20)22(23)17-24-16-19-9-7-8-18(2)15-19/h5-13,15,24H,3-4,14,16-17H2,1-2H3
InChIKeyXRYCJGVPGMRSBN-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.62
Rot. Bonds8

About N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine

N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine (PubChem CID 54804162) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine
PubChem CID54804162
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC NameN-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine
SMILESCCCCOc1ccc2ccccc2c1CNCc1cccc(C)c1
InChIInChI=1S/C23H27NO/c1-3-4-14-25-23-13-12-20-10-5-6-11-21(20)22(23)17-24-16-19-9-7-8-18(2)15-19/h5-13,15,24H,3-4,14,16-17H2,1-2H3
InChIKeyXRYCJGVPGMRSBN-UHFFFAOYSA-N
XLogP5.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.62
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]-1-phenylmethanamine
CID 54804070
N-[(2-octoxynaphthalen-1-yl)methyl]-1-phenylmethanamine
CID 54803978
N-[(2-butoxynaphthalen-1-yl)methyl]hexan-1-amine
CID 54805335
1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine
CID 54803956
N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine
CID 54849210
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
CID 54804099
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-butoxynaphthalen-1-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849521
1-(4-heptoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54803754

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine?
The IUPAC name of N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine (CID 54804162) is N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine is CCCCOc1ccc2ccccc2c1CNCc1cccc(C)c1.
What is the InChIKey of N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine?
The InChIKey is XRYCJGVPGMRSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-3-4-14-25-23-13-12-20-10-5-6-11-21(20)22(23)17-24-16-19-9-7-8-18(2)15-19/h5-13,15,24H,3-4,14,16-17H2,1-2H3.
What are the key properties of N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine?
N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine has a molecular weight of 333.48 g/mol, XLogP of 5.62, 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-(3-methylphenyl)methanamine is sourced from PubChem (CID 54804162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).