N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine

C16H27NO3 — CID 62198160

IUPACN-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-6-7-8-12(2)17-11-13-9-15(19-4)16(20-5)10-14(13)18-3/h9-10,12,17H,6-8,11H2,1-5H3
InChIKeyADVDVOKHLUDHAZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.38
Rot. Bonds9

About N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine

N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine (PubChem CID 62198160) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine
PubChem CID62198160
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-6-7-8-12(2)17-11-13-9-15(19-4)16(20-5)10-14(13)18-3/h9-10,12,17H,6-8,11H2,1-5H3
InChIKeyADVDVOKHLUDHAZ-UHFFFAOYSA-N
XLogP3.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine 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

N-[(2,4,5-trimethoxyphenyl)methyl]heptan-2-amine
CID 43398782
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
4-ethylsulfanyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115660533
(2S)-N-[(2,5-dimethoxyphenyl)methyl]heptan-2-amine
CID 93035260
N-[(5-bromo-2-methoxyphenyl)methyl]heptan-2-amine
CID 43398788
N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine
CID 62200224
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549
N-[(3,4-dimethoxyphenyl)methyl]octan-2-amine
CID 43085029
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
3,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115623175
4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103701021

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine?
The IUPAC name of N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine (CID 62198160) is N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine is CCCCC(C)NCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine?
The InChIKey is ADVDVOKHLUDHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-7-8-12(2)17-11-13-9-15(19-4)16(20-5)10-14(13)18-3/h9-10,12,17H,6-8,11H2,1-5H3.
What are the key properties of N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine?
N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine is sourced from PubChem (CID 62198160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).