4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

C16H28FN3 — CID 102915247

IUPAC4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCCNCc1ccnc(NCC(C(C)C)C(C)C)c1F
InChIInChI=1S/C16H28FN3/c1-6-18-9-13-7-8-19-16(15(13)17)20-10-14(11(2)3)12(4)5/h7-8,11-12,14,18H,6,9-10H2,1-5H3,(H,19,20)
InChIKeyWWBJCQYGTLWICE-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.67
Rot. Bonds8

About 4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine

4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (PubChem CID 102915247) has the molecular formula C16H28FN3 and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
PubChem CID102915247
Molecular FormulaC16H28FN3
Molecular Weight281.42 g/mol
Exact Mass281.23
IUPAC Name4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
SMILESCCNCc1ccnc(NCC(C(C)C)C(C)C)c1F
InChIInChI=1S/C16H28FN3/c1-6-18-9-13-7-8-19-16(15(13)17)20-10-14(11(2)3)12(4)5/h7-8,11-12,14,18H,6,9-10H2,1-5H3,(H,19,20)
InChIKeyWWBJCQYGTLWICE-UHFFFAOYSA-N
XLogP3.67
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol
CID 105383169
2-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-4-amine
CID 102915210
4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 105386429
N-[(3-fluoro-2-prop-2-enoxy-4-pyridinyl)methyl]ethanamine
CID 105390746
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
N-[[3-fluoro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391100
3-(ethylaminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
CID 102700670
3-chloro-5-(ethylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915300
N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389714
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-propan-2-ylpyridin-2-amine
CID 105389642
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391563

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The IUPAC name of 4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine (CID 102915247) is 4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The canonical SMILES for 4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is CCNCc1ccnc(NCC(C(C)C)C(C)C)c1F.
What is the InChIKey of 4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
The InChIKey is WWBJCQYGTLWICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3/c1-6-18-9-13-7-8-19-16(15(13)17)20-10-14(11(2)3)12(4)5/h7-8,11-12,14,18H,6,9-10H2,1-5H3,(H,19,20).
What are the key properties of 4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine?
4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine has a molecular weight of 281.42 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine is sourced from PubChem (CID 102915247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).