N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine

C18H23NO2 — CID 82097699

IUPACN-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine
SMILESCOc1ccccc1CNCCCOc1cccc(C)c1
InChIInChI=1S/C18H23NO2/c1-15-7-5-9-17(13-15)21-12-6-11-19-14-16-8-3-4-10-18(16)20-2/h3-5,7-10,13,19H,6,11-12,14H2,1-2H3
InChIKeyHHPAYICAQOSGSN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.56
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine

N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine (PubChem CID 82097699) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine
PubChem CID82097699
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine
SMILESCOc1ccccc1CNCCCOc1cccc(C)c1
InChIInChI=1S/C18H23NO2/c1-15-7-5-9-17(13-15)21-12-6-11-19-14-16-8-3-4-10-18(16)20-2/h3-5,7-10,13,19H,6,11-12,14H2,1-2H3
InChIKeyHHPAYICAQOSGSN-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60688504
N-[(2-fluorophenyl)methyl]-4-(3-methylphenoxy)butan-1-amine
CID 82097799
N-[(2-chloro-5-fluorophenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 102615600
2-(4-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60690018
N-[(2-chloro-3-fluorophenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 115982826
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methyl]butan-1-amine
CID 54805198
N-[3-(3-methylphenoxy)propyl]hexan-1-amine
CID 82097595
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
1-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 54803840
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
3-(2-methoxyethoxy)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 103605684
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine (CID 82097699) is N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine is COc1ccccc1CNCCCOc1cccc(C)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine?
The InChIKey is HHPAYICAQOSGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-7-5-9-17(13-15)21-12-6-11-19-14-16-8-3-4-10-18(16)20-2/h3-5,7-10,13,19H,6,11-12,14H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine?
N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(3-methylphenoxy)propan-1-amine is sourced from PubChem (CID 82097699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).