(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium

C18H24NO3+ — CID 2162907

IUPAC(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1CC[NH2+]Cc1cccc(OC)c1OC
InChIInChI=1S/C18H23NO3/c1-20-16-9-5-4-7-14(16)11-12-19-13-15-8-6-10-17(21-2)18(15)22-3/h4-10,19H,11-13H2,1-3H3/p+1
InChIKeyVHWAPSSMCCKMDD-UHFFFAOYSA-O
MW302.39 g/mol
LogP2.02
Rot. Bonds8

About (2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium

(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium (PubChem CID 2162907) has the molecular formula C18H24NO3+ and a molecular weight of 302.39 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
PubChem CID2162907
Molecular FormulaC18H24NO3+
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1CC[NH2+]Cc1cccc(OC)c1OC
InChIInChI=1S/C18H23NO3/c1-20-16-9-5-4-7-14(16)11-12-19-13-15-8-6-10-17(21-2)18(15)22-3/h4-10,19H,11-13H2,1-3H3/p+1
InChIKeyVHWAPSSMCCKMDD-UHFFFAOYSA-O
XLogP2.02
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.02
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

(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2235903
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2163838
2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium
CID 2249443
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8621780
(2,3-dimethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
CID 6941908
(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 7827742
naphthalen-1-ylmethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium
CID 7452688
2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol
CID 10039695
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
The IUPAC name of (2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium (CID 2162907) is (2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for (2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
The canonical SMILES for (2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium is COc1ccccc1CC[NH2+]Cc1cccc(OC)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
The InChIKey is VHWAPSSMCCKMDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23NO3/c1-20-16-9-5-4-7-14(16)11-12-19-13-15-8-6-10-17(21-2)18(15)22-3/h4-10,19H,11-13H2,1-3H3/p+1.
What are the key properties of (2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium has a molecular weight of 302.39 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 2162907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).