[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine

C16H19NO2 — CID 116926180

IUPAC[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine
SMILESCOc1ccc(OC)c(Cc2cccc(CN)c2)c1
InChIInChI=1S/C16H19NO2/c1-18-15-6-7-16(19-2)14(10-15)9-12-4-3-5-13(8-12)11-17/h3-8,10H,9,11,17H2,1-2H3
InChIKeyVRIBUCQTEXVNAF-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.75
Rot. Bonds5

About [3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine

[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine (PubChem CID 116926180) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine
PubChem CID116926180
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine
SMILESCOc1ccc(OC)c(Cc2cccc(CN)c2)c1
InChIInChI=1S/C16H19NO2/c1-18-15-6-7-16(19-2)14(10-15)9-12-4-3-5-13(8-12)11-17/h3-8,10H,9,11,17H2,1-2H3
InChIKeyVRIBUCQTEXVNAF-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine
CID 116926185
4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 39359260
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
CID 161269698
benzyl-[(2,5-dimethoxyphenyl)methyl]azanium
CID 6963477
(2R)-1-[2,5-dimethoxy-4-[(3-methoxyphenyl)methyl]phenyl]propan-2-amine;hydrochloride
CID 69398497
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
N,N,1,1,2,2-hexadeuterio-2-(2,5-dimethoxyphenyl)ethanamine
CID 71777141
[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
CID 116926187
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine (CID 116926180) is [3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine is COc1ccc(OC)c(Cc2cccc(CN)c2)c1.
What is the InChIKey of [3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine?
The InChIKey is VRIBUCQTEXVNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-18-15-6-7-16(19-2)14(10-15)9-12-4-3-5-13(8-12)11-17/h3-8,10H,9,11,17H2,1-2H3.
What are the key properties of [3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine?
[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine has a molecular weight of 257.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine is sourced from PubChem (CID 116926180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).