N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

C16H21N3 — CID 61450546

IUPACN-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)C(CN)c1ccccc1
InChIInChI=1S/C16H21N3/c1-2-19(13-14-8-10-18-11-9-14)16(12-17)15-6-4-3-5-7-15/h3-11,16H,2,12-13,17H2,1H3
InChIKeyPRQRXMPUXMPQPF-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.60
Rot. Bonds6

About N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 61450546) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID61450546
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)C(CN)c1ccccc1
InChIInChI=1S/C16H21N3/c1-2-19(13-14-8-10-18-11-9-14)16(12-17)15-6-4-3-5-7-15/h3-11,16H,2,12-13,17H2,1H3
InChIKeyPRQRXMPUXMPQPF-UHFFFAOYSA-N
XLogP2.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine 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

N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450895
N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine
CID 43126038
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 106817330
2-N-ethyl-3,3,3-trifluoro-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 54947943
N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43126047
1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 79426512
1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450542
N-benzyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43126021
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 55034763
3-[methyl(pyridin-4-ylmethyl)amino]-3-phenylpropanethioamide
CID 62779783

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 61450546) is N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCN(Cc1ccncc1)C(CN)c1ccccc1.
What is the InChIKey of N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is PRQRXMPUXMPQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-19(13-14-8-10-18-11-9-14)16(12-17)15-6-4-3-5-7-15/h3-11,16H,2,12-13,17H2,1H3.
What are the key properties of N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61450546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).