N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine

C16H21N3 — CID 103932325

IUPACN-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NC(C)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H21N3/c1-12-9-15(11-17-10-12)18-13(2)14-5-7-16(8-6-14)19(3)4/h5-11,13,18H,1-4H3
InChIKeyQPPXWQCCJMJIGK-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.63
Rot. Bonds4

About N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine

N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine (PubChem CID 103932325) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine
PubChem CID103932325
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NC(C)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H21N3/c1-12-9-15(11-17-10-12)18-13(2)14-5-7-16(8-6-14)19(3)4/h5-11,13,18H,1-4H3
InChIKeyQPPXWQCCJMJIGK-UHFFFAOYSA-N
XLogP3.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea
CID 103932386
3-bromo-N-[1-[4-(dimethylamino)phenyl]ethyl]-4-methylaniline
CID 63462952
N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine
CID 103932307
3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 75497970
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-5-methylpyridin-3-amine
CID 103932317
5-methyl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 115922253
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43762049
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine
CID 103936344
5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
CID 103932265
N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline
CID 43772756
5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine
CID 103932356
4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine
CID 83164376

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine?
The IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine (CID 103932325) is N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine.
What is the SMILES notation for N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine?
The canonical SMILES for N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine is Cc1cncc(NC(C)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine?
The InChIKey is QPPXWQCCJMJIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-9-15(11-17-10-12)18-13(2)14-5-7-16(8-6-14)19(3)4/h5-11,13,18H,1-4H3.
What are the key properties of N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine?
N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine has a molecular weight of 255.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 103932325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).