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

C23H33NO — CID 54804099

IUPAC1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
SMILESCCCCCCCCOc1ccccc1CNCc1cccc(C)c1
InChIInChI=1S/C23H33NO/c1-3-4-5-6-7-10-16-25-23-15-9-8-14-22(23)19-24-18-21-13-11-12-20(2)17-21/h8-9,11-15,17,24H,3-7,10,16,18-19H2,1-2H3
InChIKeyRPPCBPURXKEIIM-UHFFFAOYSA-N
MW339.52 g/mol
LogP6.02
Rot. Bonds12

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

1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine (PubChem CID 54804099) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
PubChem CID54804099
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
SMILESCCCCCCCCOc1ccccc1CNCc1cccc(C)c1
InChIInChI=1S/C23H33NO/c1-3-4-5-6-7-10-16-25-23-15-9-8-14-22(23)19-24-18-21-13-11-12-20(2)17-21/h8-9,11-15,17,24H,3-7,10,16,18-19H2,1-2H3
InChIKeyRPPCBPURXKEIIM-UHFFFAOYSA-N
XLogP6.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.02
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-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 28663714
1-(4-heptoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54803754
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
1-(3-methylphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28664190
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine
CID 54804143
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
1-(4-heptoxy-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803633
N-[(2-butoxynaphthalen-1-yl)methyl]-1-(3-methylphenyl)methanamine
CID 54804162

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine (CID 54804099) is 1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine is CCCCCCCCOc1ccccc1CNCc1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine?
The InChIKey is RPPCBPURXKEIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-3-4-5-6-7-10-16-25-23-15-9-8-14-22(23)19-24-18-21-13-11-12-20(2)17-21/h8-9,11-15,17,24H,3-7,10,16,18-19H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine?
1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine has a molecular weight of 339.52 g/mol, XLogP of 6.02, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine is sourced from PubChem (CID 54804099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).