N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine

C14H23NO2 — CID 775201

IUPACN-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO2/c1-5-12(6-2)15-10-11-7-8-13(16-3)9-14(11)17-4/h7-9,12,15H,5-6,10H2,1-4H3
InChIKeyABKLHMFETKGKJI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.98
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine

N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine (PubChem CID 775201) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine
PubChem CID775201
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO2/c1-5-12(6-2)15-10-11-7-8-13(16-3)9-14(11)17-4/h7-9,12,15H,5-6,10H2,1-4H3
InChIKeyABKLHMFETKGKJI-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine (CID 775201) is N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine is CCC(CC)NCc1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine?
The InChIKey is ABKLHMFETKGKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-12(6-2)15-10-11-7-8-13(16-3)9-14(11)17-4/h7-9,12,15H,5-6,10H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine?
N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine has a molecular weight of 237.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]pentan-3-amine is sourced from PubChem (CID 775201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).