N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine

C15H25NO2 — CID 4722370

IUPACN-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO2/c1-4-5-6-7-10-16-12-13-8-9-14(17-2)11-15(13)18-3/h8-9,11,16H,4-7,10,12H2,1-3H3
InChIKeyBRMZIRXNGVBFSK-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.37
Rot. Bonds9

About N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine

N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine (PubChem CID 4722370) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
PubChem CID4722370
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO2/c1-4-5-6-7-10-16-12-13-8-9-14(17-2)11-15(13)18-3/h8-9,11,16H,4-7,10,12H2,1-3H3
InChIKeyBRMZIRXNGVBFSK-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 81105409
N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 4105922
N-[(2,4-dibutoxyphenyl)methyl]hexan-1-amine
CID 54805232
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17213990
N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905855
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-decyl-2,4-dimethoxybenzene
CID 524862

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine (CID 4722370) is N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine is CCCCCCNCc1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine?
The InChIKey is BRMZIRXNGVBFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-5-6-7-10-16-12-13-8-9-14(17-2)11-15(13)18-3/h8-9,11,16H,4-7,10,12H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine?
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.37, 9 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]hexan-1-amine is sourced from PubChem (CID 4722370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).