N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine

C14H22N2O3 — CID 55030744

IUPACN-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(C(CN)NC2CC2)cc(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-17-12-6-9(7-13(18-2)14(12)19-3)11(8-15)16-10-4-5-10/h6-7,10-11,16H,4-5,8,15H2,1-3H3
InChIKeyQDUBICYXHILRKU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.46
Rot. Bonds7

About N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine

N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine (PubChem CID 55030744) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
PubChem CID55030744
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(C(CN)NC2CC2)cc(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-17-12-6-9(7-13(18-2)14(12)19-3)11(8-15)16-10-4-5-10/h6-7,10-11,16H,4-5,8,15H2,1-3H3
InChIKeyQDUBICYXHILRKU-UHFFFAOYSA-N
XLogP1.46
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325
methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate
CID 60797315
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153
N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528632
3-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]propan-1-ol
CID 65376786
N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 105476319
4-[[2-amino-1-(3,4,5-trimethoxyphenyl)ethyl]amino]butan-1-ol
CID 106841280
1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544711
[3-ethyl-1-(3,4,5-trimethoxyphenyl)pentyl]hydrazine
CID 105330965
1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 104816316
N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 105476318
2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol
CID 61054231

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine (CID 55030744) is N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine is COc1cc(C(CN)NC2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is QDUBICYXHILRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-17-12-6-9(7-13(18-2)14(12)19-3)11(8-15)16-10-4-5-10/h6-7,10-11,16H,4-5,8,15H2,1-3H3.
What are the key properties of N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine?
N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 266.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55030744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).