1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine

C20H27NO — CID 54803563

IUPAC1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
SMILESCCCCCOc1ccccc1CNCc1ccccc1C
InChIInChI=1S/C20H27NO/c1-3-4-9-14-22-20-13-8-7-12-19(20)16-21-15-18-11-6-5-10-17(18)2/h5-8,10-13,21H,3-4,9,14-16H2,1-2H3
InChIKeyNTFQXQKXUMUUPB-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.85
Rot. Bonds9

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

1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine (PubChem CID 54803563) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
PubChem CID54803563
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
SMILESCCCCCOc1ccccc1CNCc1ccccc1C
InChIInChI=1S/C20H27NO/c1-3-4-9-14-22-20-13-8-7-12-19(20)16-21-15-18-11-6-5-10-17(18)2/h5-8,10-13,21H,3-4,9,14-16H2,1-2H3
InChIKeyNTFQXQKXUMUUPB-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.85
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-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803574
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
CID 54804099
1-(4-heptoxy-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803633
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
1-[(2-heptoxyphenyl)methylamino]propan-2-ol
CID 54849266
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54798960

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine (CID 54803563) is 1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine is CCCCCOc1ccccc1CNCc1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine?
The InChIKey is NTFQXQKXUMUUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-4-9-14-22-20-13-8-7-12-19(20)16-21-15-18-11-6-5-10-17(18)2/h5-8,10-13,21H,3-4,9,14-16H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine?
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine has a molecular weight of 297.44 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine is sourced from PubChem (CID 54803563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).