N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine

C17H22FN3 — CID 105388950

IUPACN-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
SMILESCCNCc1ccnc(N(CC)Cc2ccccc2)c1F
InChIInChI=1S/C17H22FN3/c1-3-19-12-15-10-11-20-17(16(15)18)21(4-2)13-14-8-6-5-7-9-14/h5-11,19H,3-4,12-13H2,1-2H3
InChIKeyIWYOZCYKHSHJHE-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.36
Rot. Bonds7

About N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine

N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine (PubChem CID 105388950) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
PubChem CID105388950
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
SMILESCCNCc1ccnc(N(CC)Cc2ccccc2)c1F
InChIInChI=1S/C17H22FN3/c1-3-19-12-15-10-11-20-17(16(15)18)21(4-2)13-14-8-6-5-7-9-14/h5-11,19H,3-4,12-13H2,1-2H3
InChIKeyIWYOZCYKHSHJHE-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 105383463
N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine
CID 105388874
N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389989
N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389439
N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105388812
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine
CID 105389589
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
N-[[3-fluoro-2-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391185
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 61448906

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
The IUPAC name of N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine (CID 105388950) is N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine is CCNCc1ccnc(N(CC)Cc2ccccc2)c1F.
What is the InChIKey of N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
The InChIKey is IWYOZCYKHSHJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-19-12-15-10-11-20-17(16(15)18)21(4-2)13-14-8-6-5-7-9-14/h5-11,19H,3-4,12-13H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine?
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 105388950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).