N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine

C14H24N2O3 — CID 115197367

IUPACN'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine
SMILESCOc1cc(OC)c(CCNCCCN)c(OC)c1
InChIInChI=1S/C14H24N2O3/c1-17-11-9-13(18-2)12(14(10-11)19-3)5-8-16-7-4-6-15/h9-10,16H,4-8,15H2,1-3H3
InChIKeyBYEPOTLXBVXRHK-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.19
Rot. Bonds9

About N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine

N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine (PubChem CID 115197367) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine
PubChem CID115197367
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine
SMILESCOc1cc(OC)c(CCNCCCN)c(OC)c1
InChIInChI=1S/C14H24N2O3/c1-17-11-9-13(18-2)12(14(10-11)19-3)5-8-16-7-4-6-15/h9-10,16H,4-8,15H2,1-3H3
InChIKeyBYEPOTLXBVXRHK-UHFFFAOYSA-N
XLogP1.19
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119320840
3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
CID 117331589
N-methyl-5-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 65300910
4-(2-ethyl-3,5-dimethoxyphenyl)butan-1-amine
CID 117347671
N'-[2-(3-chloro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 115197303
N'-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195431
N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921
(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119320832
2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
CID 117437716
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
2-(5-bromopentyl)-1,3,5-trimethoxybenzene
CID 56956628
N'-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60889130

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine (CID 115197367) is N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine is COc1cc(OC)c(CCNCCCN)c(OC)c1.
What is the InChIKey of N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine?
The InChIKey is BYEPOTLXBVXRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-17-11-9-13(18-2)12(14(10-11)19-3)5-8-16-7-4-6-15/h9-10,16H,4-8,15H2,1-3H3.
What are the key properties of N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine?
N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 115197367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).