N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine

C20H27NO2 — CID 2244864

IUPACN-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccccc1)Cc1cc(OC)ccc1OC
InChIInChI=1S/C20H27NO2/c1-4-5-13-21(15-17-9-7-6-8-10-17)16-18-14-19(22-2)11-12-20(18)23-3/h6-12,14H,4-5,13,15-16H2,1-3H3
InChIKeyFNOCSTRDWWMKHP-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.51
Rot. Bonds9

About N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine

N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine (PubChem CID 2244864) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine
PubChem CID2244864
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccccc1)Cc1cc(OC)ccc1OC
InChIInChI=1S/C20H27NO2/c1-4-5-13-21(15-17-9-7-6-8-10-17)16-18-14-19(22-2)11-12-20(18)23-3/h6-12,14H,4-5,13,15-16H2,1-3H3
InChIKeyFNOCSTRDWWMKHP-UHFFFAOYSA-N
XLogP4.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-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-benzyl-N-[(4-methoxy-2,3-dimethylphenyl)methyl]butan-1-amine
CID 2244814
N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 39423483
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
N-[(3,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)butan-1-amine
CID 141000405
3-[[(2,5-dimethoxyphenyl)methyl-(2-hydroxyethyl)amino]methyl]benzoic acid
CID 122029074
N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-benzyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 2245013
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
benzyl-[(2,5-dimethoxyphenyl)methyl]azanium
CID 6963477
N-benzyl-2-bromo-N-[(3-methoxyphenyl)methyl]ethanamine
CID 80679001
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine?
The IUPAC name of N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine (CID 2244864) is N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine is CCCCN(Cc1ccccc1)Cc1cc(OC)ccc1OC.
What is the InChIKey of N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine?
The InChIKey is FNOCSTRDWWMKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-5-13-21(15-17-9-7-6-8-10-17)16-18-14-19(22-2)11-12-20(18)23-3/h6-12,14H,4-5,13,15-16H2,1-3H3.
What are the key properties of N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine?
N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 2244864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).