N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine

C16H19BrFN3 — CID 105389439

IUPACN-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
SMILESCCNCc1ccnc(N(C)Cc2ccccc2Br)c1F
InChIInChI=1S/C16H19BrFN3/c1-3-19-10-12-8-9-20-16(15(12)18)21(2)11-13-6-4-5-7-14(13)17/h4-9,19H,3,10-11H2,1-2H3
InChIKeyHYIJZZUYDVNCMP-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.73
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine

N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine (PubChem CID 105389439) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
PubChem CID105389439
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC NameN-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
SMILESCCNCc1ccnc(N(C)Cc2ccccc2Br)c1F
InChIInChI=1S/C16H19BrFN3/c1-3-19-10-12-8-9-20-16(15(12)18)21(2)11-13-6-4-5-7-14(13)17/h4-9,19H,3,10-11H2,1-2H3
InChIKeyHYIJZZUYDVNCMP-UHFFFAOYSA-N
XLogP3.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391709
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105388950
N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine
CID 105388874
N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107379580
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390420
N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105388812
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389902
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 105389860
N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389989
4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105390101

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine (CID 105389439) is N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine is CCNCc1ccnc(N(C)Cc2ccccc2Br)c1F.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is HYIJZZUYDVNCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c1-3-19-10-12-8-9-20-16(15(12)18)21(2)11-13-6-4-5-7-14(13)17/h4-9,19H,3,10-11H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine?
N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 352.25 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 105389439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).