N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine

C18H24N2O2 — CID 43822937

IUPACN-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(CN)N(C)Cc2ccccc2)c1
InChIInChI=1S/C18H24N2O2/c1-20(13-14-7-5-4-6-8-14)17(12-19)16-11-15(21-2)9-10-18(16)22-3/h4-11,17H,12-13,19H2,1-3H3
InChIKeyPOCTVSVYCOGCLP-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.84
Rot. Bonds7

About N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine

N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 43822937) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID43822937
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(CN)N(C)Cc2ccccc2)c1
InChIInChI=1S/C18H24N2O2/c1-20(13-14-7-5-4-6-8-14)17(12-19)16-11-15(21-2)9-10-18(16)22-3/h4-11,17H,12-13,19H2,1-3H3
InChIKeyPOCTVSVYCOGCLP-UHFFFAOYSA-N
XLogP2.84
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527387
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 54884298
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415283
1-(2,5-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 16642878
1-(2,5-dimethoxyphenyl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79842302
1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571892
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420508
1-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420556

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine (CID 43822937) is N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine is COc1ccc(OC)c(C(CN)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is POCTVSVYCOGCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-20(13-14-7-5-4-6-8-14)17(12-19)16-11-15(21-2)9-10-18(16)22-3/h4-11,17H,12-13,19H2,1-3H3.
What are the key properties of N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine?
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 300.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 43822937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).