N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium

C12H18HoNO- — CID 170636177

IUPACN-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium
SMILESCCN(CC)Cc1cc[c-]c(OC)c1.[Ho]
InChIInChI=1S/C12H18NO.Ho/c1-4-13(5-2)10-11-7-6-8-12(9-11)14-3;/h6-7,9H,4-5,10H2,1-3H3;/q-1;
InChIKeyCTKDPEMDGDPYEV-UHFFFAOYSA-N
MW357.21 g/mol
LogP2.34
Rot. Bonds5

About N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium

N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium (PubChem CID 170636177) has the molecular formula C12H18HoNO- and a molecular weight of 357.21 g/mol. Its IUPAC name is N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium.

Molecular Properties

Compound NameN-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium
PubChem CID170636177
Molecular FormulaC12H18HoNO-
Molecular Weight357.21 g/mol
Exact Mass357.07
IUPAC NameN-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium
SMILESCCN(CC)Cc1cc[c-]c(OC)c1.[Ho]
InChIInChI=1S/C12H18NO.Ho/c1-4-13(5-2)10-11-7-6-8-12(9-11)14-3;/h6-7,9H,4-5,10H2,1-3H3;/q-1;
InChIKeyCTKDPEMDGDPYEV-UHFFFAOYSA-N
XLogP2.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium?
The IUPAC name of N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium (CID 170636177) is N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium.
What is the SMILES notation for N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium?
The canonical SMILES for N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium is CCN(CC)Cc1cc[c-]c(OC)c1.[Ho].
What is the InChIKey of N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium?
The InChIKey is CTKDPEMDGDPYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO.Ho/c1-4-13(5-2)10-11-7-6-8-12(9-11)14-3;/h6-7,9H,4-5,10H2,1-3H3;/q-1;.
What are the key properties of N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium?
N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium has a molecular weight of 357.21 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methoxybenzene-4-id-1-yl)methyl]ethanamine;holmium is sourced from PubChem (CID 170636177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).