N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine

C18H23NO — CID 62548589

IUPACN-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine
SMILESCCCc1ccc(OCc2cccc(CNC)c2)cc1
InChIInChI=1S/C18H23NO/c1-3-5-15-8-10-18(11-9-15)20-14-17-7-4-6-16(12-17)13-19-2/h4,6-12,19H,3,5,13-14H2,1-2H3
InChIKeyANJIFEHAMOUEQA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.94
Rot. Bonds7

About N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine

N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine (PubChem CID 62548589) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine
PubChem CID62548589
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine
SMILESCCCc1ccc(OCc2cccc(CNC)c2)cc1
InChIInChI=1S/C18H23NO/c1-3-5-15-8-10-18(11-9-15)20-14-17-7-4-6-16(12-17)13-19-2/h4,6-12,19H,3,5,13-14H2,1-2H3
InChIKeyANJIFEHAMOUEQA-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 65201443
N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine
CID 62548754
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
N-[[3-[(4-methylsulfanylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63649093
N-methyl-1-[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methanamine
CID 62548081
ethane;N-methyl-1-(4-propylphenyl)methanamine
CID 176699852
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine
CID 105407260
phenyl 3-[(4-propylphenoxy)methyl]benzoate
CID 10736361
N-methyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495346

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine (CID 62548589) is N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine is CCCc1ccc(OCc2cccc(CNC)c2)cc1.
What is the InChIKey of N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine?
The InChIKey is ANJIFEHAMOUEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-5-15-8-10-18(11-9-15)20-14-17-7-4-6-16(12-17)13-19-2/h4,6-12,19H,3,5,13-14H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine?
N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 62548589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).