N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine

C16H20N2 — CID 54943545

IUPACN-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
SMILESCCc1ccc(CNCCc2ccncc2)cc1
InChIInChI=1S/C16H20N2/c1-2-14-3-5-16(6-4-14)13-18-12-9-15-7-10-17-11-8-15/h3-8,10-11,18H,2,9,12-13H2,1H3
InChIKeyASUQFWRLFKWXSD-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.98
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine

N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 54943545) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
PubChem CID54943545
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
SMILESCCc1ccc(CNCCc2ccncc2)cc1
InChIInChI=1S/C16H20N2/c1-2-14-3-5-16(6-4-14)13-18-12-9-15-7-10-17-11-8-15/h3-8,10-11,18H,2,9,12-13H2,1H3
InChIKeyASUQFWRLFKWXSD-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
CID 115212846
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
methyl 4-[(2-pyridin-4-ylethylamino)methyl]benzoate
CID 60649467
2-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetic acid
CID 103239967
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
ethane;4-ethylpyridine
CID 142005045
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700658
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine (CID 54943545) is N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine is CCc1ccc(CNCCc2ccncc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is ASUQFWRLFKWXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-14-3-5-16(6-4-14)13-18-12-9-15-7-10-17-11-8-15/h3-8,10-11,18H,2,9,12-13H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine?
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine has a molecular weight of 240.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 54943545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).