N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine

C19H25NO2 — CID 17156042

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1cccc(OC)c1OC)c1ccccc1
InChIInChI=1S/C19H25NO2/c1-4-9-17(15-10-6-5-7-11-15)20-14-16-12-8-13-18(21-2)19(16)22-3/h5-8,10-13,17,20H,4,9,14H2,1-3H3
InChIKeyYFGZKKZGLVLEKZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.33
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine

N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine (PubChem CID 17156042) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
PubChem CID17156042
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1cccc(OC)c1OC)c1ccccc1
InChIInChI=1S/C19H25NO2/c1-4-9-17(15-10-6-5-7-11-15)20-14-16-12-8-13-18(21-2)19(16)22-3/h5-8,10-13,17,20H,4,9,14H2,1-3H3
InChIKeyYFGZKKZGLVLEKZ-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17155730
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848699
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156408
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156110
2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 3744836
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
N-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156741
(1R)-1,2-diphenyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 1368185
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155781
N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 54949454

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine (CID 17156042) is N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine is CCCC(NCc1cccc(OC)c1OC)c1ccccc1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine?
The InChIKey is YFGZKKZGLVLEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-9-17(15-10-6-5-7-11-15)20-14-16-12-8-13-18(21-2)19(16)22-3/h5-8,10-13,17,20H,4,9,14H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 17156042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).