N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine

C18H25N3 — CID 81249699

IUPACN-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
SMILESCCN(c1ccccc1)c1ccncc1CNCC(C)C
InChIInChI=1S/C18H25N3/c1-4-21(17-8-6-5-7-9-17)18-10-11-19-13-16(18)14-20-12-15(2)3/h5-11,13,15,20H,4,12,14H2,1-3H3
InChIKeyGKVCPAHSEVFSDY-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.99
Rot. Bonds7

About N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine

N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine (PubChem CID 81249699) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
PubChem CID81249699
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
SMILESCCN(c1ccccc1)c1ccncc1CNCC(C)C
InChIInChI=1S/C18H25N3/c1-4-21(17-8-6-5-7-9-17)18-10-11-19-13-16(18)14-20-12-15(2)3/h5-11,13,15,20H,4,12,14H2,1-3H3
InChIKeyGKVCPAHSEVFSDY-UHFFFAOYSA-N
XLogP3.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(N-ethylanilino)-4-pyridinyl]methanol
CID 105066676
N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246573
N-ethyl-N-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-4-amine
CID 81246210
N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073335
N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine
CID 81247060
N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073191
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
CID 105074326
2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191478
N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073725
N-ethyl-3-(ethylaminomethyl)-N-phenylpyridin-2-amine
CID 62279792
N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
CID 81246240
N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551148

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine?
The IUPAC name of N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine (CID 81249699) is N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine.
What is the SMILES notation for N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine?
The canonical SMILES for N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine is CCN(c1ccccc1)c1ccncc1CNCC(C)C.
What is the InChIKey of N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine?
The InChIKey is GKVCPAHSEVFSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-21(17-8-6-5-7-9-17)18-10-11-19-13-16(18)14-20-12-15(2)3/h5-11,13,15,20H,4,12,14H2,1-3H3.
What are the key properties of N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine?
N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine is sourced from PubChem (CID 81249699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).