4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine

C15H25NO — CID 113382938

IUPAC4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)CC(C)OC
InChIInChI=1S/C15H25NO/c1-12-5-7-14(8-6-12)10-15(11-16-3)9-13(2)17-4/h5-8,13,15-16H,9-11H2,1-4H3
InChIKeyFWCSCMDIJQBEJU-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.80
Rot. Bonds7

About 4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine

4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine (PubChem CID 113382938) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
PubChem CID113382938
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)CC(C)OC
InChIInChI=1S/C15H25NO/c1-12-5-7-14(8-6-12)10-15(11-16-3)9-13(2)17-4/h5-8,13,15-16H,9-11H2,1-4H3
InChIKeyFWCSCMDIJQBEJU-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
CID 145316433
2-[(4-iodophenyl)methyl]-N,4-dimethylpentan-1-amine
CID 65477138
N-methyl-2-[(4-methylphenyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705903
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
2-[(3-fluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 62515206
N-methyl-2-[[4-(2-methylpropyl)phenyl]methyl]butan-1-amine
CID 116931795
N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644019
2-[(5-fluoro-2-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105374875
N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
CID 63522236
N-(2-methoxypropyl)-4-methylaniline
CID 102551518
N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine
CID 103984265

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
The IUPAC name of 4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine (CID 113382938) is 4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
The canonical SMILES for 4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine is CNCC(Cc1ccc(C)cc1)CC(C)OC.
What is the InChIKey of 4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
The InChIKey is FWCSCMDIJQBEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-5-7-14(8-6-12)10-15(11-16-3)9-13(2)17-4/h5-8,13,15-16H,9-11H2,1-4H3.
What are the key properties of 4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 113382938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).