N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine

C18H23NO2 — CID 61034037

IUPACN-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2ccc(OC)cc2OC)c1
InChIInChI=1S/C18H23NO2/c1-4-10-19-13-14-6-5-7-15(11-14)17-9-8-16(20-2)12-18(17)21-3/h5-9,11-12,19H,4,10,13H2,1-3H3
InChIKeyUBPYFSMYQGXNRB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.87
Rot. Bonds7

About N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine

N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine (PubChem CID 61034037) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine
PubChem CID61034037
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(-c2ccc(OC)cc2OC)c1
InChIInChI=1S/C18H23NO2/c1-4-10-19-13-14-6-5-7-15(11-14)17-9-8-16(20-2)12-18(17)21-3/h5-9,11-12,19H,4,10,13H2,1-3H3
InChIKeyUBPYFSMYQGXNRB-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.87
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

N-[[3-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61034428
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
N-[[3-[(3-methoxyphenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66349415
N-[[3-(2,3-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424448
1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine
CID 72943652
N-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137383
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
N-[[4-(2-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66479253
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485640
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 119126928

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine (CID 61034037) is N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine is CCCNCc1cccc(-c2ccc(OC)cc2OC)c1.
What is the InChIKey of N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is UBPYFSMYQGXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-10-19-13-14-6-5-7-15(11-14)17-9-8-16(20-2)12-18(17)21-3/h5-9,11-12,19H,4,10,13H2,1-3H3.
What are the key properties of N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine?
N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61034037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).