N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine

C15H25NO3 — CID 43090921

IUPACN-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H25NO3/c1-5-6-7-8-16-11-13-14(18-3)9-12(17-2)10-15(13)19-4/h9-10,16H,5-8,11H2,1-4H3
InChIKeyLMEUOIUNTFLGQV-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.99
Rot. Bonds9

About N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine

N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine (PubChem CID 43090921) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
PubChem CID43090921
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H25NO3/c1-5-6-7-8-16-11-13-14(18-3)9-12(17-2)10-15(13)19-4/h9-10,16H,5-8,11H2,1-4H3
InChIKeyLMEUOIUNTFLGQV-UHFFFAOYSA-N
XLogP2.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
2-methylsulfonyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60921052
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide
CID 43551672
N-[(1-propylcyclopropyl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine
CID 103762036
2-cyclopentyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60733123
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 115699243

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine (CID 43090921) is N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine is CCCCCNCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine?
The InChIKey is LMEUOIUNTFLGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-6-7-8-16-11-13-14(18-3)9-12(17-2)10-15(13)19-4/h9-10,16H,5-8,11H2,1-4H3.
What are the key properties of N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine?
N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 43090921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).