2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium

C16H20N2OP+ — CID 134464012

IUPAC2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium
SMILESCC[P+](=O)CCc1ccc(-c2ccc(CN)cc2)nc1
InChIInChI=1S/C16H20N2OP/c1-2-20(19)10-9-14-5-8-16(18-12-14)15-6-3-13(11-17)4-7-15/h3-8,12H,2,9-11,17H2,1H3/q+1
InChIKeySECDNIGDQJMXKH-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.60
Rot. Bonds6

About 2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium

2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium (PubChem CID 134464012) has the molecular formula C16H20N2OP+ and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium.

Molecular Properties

Compound Name2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium
PubChem CID134464012
Molecular FormulaC16H20N2OP+
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium
SMILESCC[P+](=O)CCc1ccc(-c2ccc(CN)cc2)nc1
InChIInChI=1S/C16H20N2OP/c1-2-20(19)10-9-14-5-8-16(18-12-14)15-6-3-13(11-17)4-7-15/h3-8,12H,2,9-11,17H2,1H3/q+1
InChIKeySECDNIGDQJMXKH-UHFFFAOYSA-N
XLogP3.60
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium with MolForge

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

Launch Full Analysis

Related Compounds

2-[6-(4-ethylphenyl)-3-pyridinyl]ethanamine
CID 117001771
2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline
CID 59419619
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
[6-[4-(aminomethyl)phenyl]-3-pyridinyl]boronic acid
CID 150578069
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
3-[4-(5-butyl-2-pyridinyl)phenyl]propanal
CID 19867343
2-(4-methoxyphenyl)-5-propylpyridine
CID 54073906
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
(6-pyrimidin-5-yl-3-pyridinyl)methanamine
CID 91623834

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium?
The IUPAC name of 2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium (CID 134464012) is 2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium.
What is the SMILES notation for 2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium?
The canonical SMILES for 2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium is CC[P+](=O)CCc1ccc(-c2ccc(CN)cc2)nc1.
What is the InChIKey of 2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium?
The InChIKey is SECDNIGDQJMXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OP/c1-2-20(19)10-9-14-5-8-16(18-12-14)15-6-3-13(11-17)4-7-15/h3-8,12H,2,9-11,17H2,1H3/q+1.
What are the key properties of 2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium?
2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium has a molecular weight of 287.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(aminomethyl)phenyl]-3-pyridinyl]ethyl-ethyl-oxophosphanium is sourced from PubChem (CID 134464012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).