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

C16H27NO2 — CID 4719115

IUPACN-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
SMILESCCCCCCCNCc1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-8-11-17-13-14-9-10-15(18-2)12-16(14)19-3/h9-10,12,17H,4-8,11,13H2,1-3H3
InChIKeyNDUCFHJAUDLNRG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.76
Rot. Bonds10

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

N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine (PubChem CID 4719115) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
PubChem CID4719115
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
SMILESCCCCCCCNCc1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-8-11-17-13-14-9-10-15(18-2)12-16(14)19-3/h9-10,12,17H,4-8,11,13H2,1-3H3
InChIKeyNDUCFHJAUDLNRG-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.76
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]hexan-1-amine
CID 4722370
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]heptan-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine (CID 4719115) is N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine is CCCCCCCNCc1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine?
The InChIKey is NDUCFHJAUDLNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-7-8-11-17-13-14-9-10-15(18-2)12-16(14)19-3/h9-10,12,17H,4-8,11,13H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine?
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.76, 10 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]heptan-1-amine is sourced from PubChem (CID 4719115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).