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

C18H23NO — CID 105407260

IUPACN-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine
SMILESCCCc1ccc(Oc2cc(CNC)ccc2C)cc1
InChIInChI=1S/C18H23NO/c1-4-5-15-8-10-17(11-9-15)20-18-12-16(13-19-3)7-6-14(18)2/h6-12,19H,4-5,13H2,1-3H3
InChIKeyGJINKUHCDKZOED-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.46
Rot. Bonds6

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

N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine (PubChem CID 105407260) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine
PubChem CID105407260
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine
SMILESCCCc1ccc(Oc2cc(CNC)ccc2C)cc1
InChIInChI=1S/C18H23NO/c1-4-5-15-8-10-17(11-9-15)20-18-12-16(13-19-3)7-6-14(18)2/h6-12,19H,4-5,13H2,1-3H3
InChIKeyGJINKUHCDKZOED-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406718
N-methyl-1-[4-methyl-3-(4-nitrophenoxy)phenyl]methanamine
CID 105407116
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-methyl-1-[4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552391
N-[[3-(4-bromophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406672
1-[3-(5-chloro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407414
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 105406594
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 107169882
ethane;N-methyl-1-(4-propylphenyl)methanamine
CID 176699852
1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407476
N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 62548589

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine (CID 105407260) is N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine is CCCc1ccc(Oc2cc(CNC)ccc2C)cc1.
What is the InChIKey of N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine?
The InChIKey is GJINKUHCDKZOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-5-15-8-10-17(11-9-15)20-18-12-16(13-19-3)7-6-14(18)2/h6-12,19H,4-5,13H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine?
N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine is sourced from PubChem (CID 105407260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).