N-(1-adamantylmethyl)-3-fluoropyridin-2-amine

C16H21FN2 — CID 138756355

IUPACN-(1-adamantylmethyl)-3-fluoropyridin-2-amine
SMILESFc1cccnc1NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21FN2/c17-14-2-1-3-18-15(14)19-10-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,18,19)
InChIKeyRUDHOSYEVDOSAE-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.85
Rot. Bonds3

About N-(1-adamantylmethyl)-3-fluoropyridin-2-amine

N-(1-adamantylmethyl)-3-fluoropyridin-2-amine (PubChem CID 138756355) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-fluoropyridin-2-amine
PubChem CID138756355
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC NameN-(1-adamantylmethyl)-3-fluoropyridin-2-amine
SMILESFc1cccnc1NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21FN2/c17-14-2-1-3-18-15(14)19-10-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,18,19)
InChIKeyRUDHOSYEVDOSAE-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Benzylamino)pyridine
CID 23362
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-pyridin-2-yl-piperazine
CID 9797733
1,3-Bis(2-pyridylaminomethyl)benzene
CID 53913350
2-(1,2-Diphenylethylamino)-pyridine
CID 3057340
1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyridin-2-yl-piperazine
CID 10904165
1-[2-(4-Phenylcyclohex-3-en-1-yl)ethyl]-4-pyridin-2-ylpiperazine
CID 15682881
N-(2-phenylethyl)-5-(trifluoromethyl)-2-pyridinamine
CID 2990515
N-pyridin-2-yladamantane-1-carboxamide
CID 4219063
2-{4-[4-(2-Fluorophenyl)piperazin-1-yl]butyl}amino-4-phenylpyridine
CID 11567620
N-(4-(4-(2-fluorophenyl)piperazin-1-yl)butyl)-5-phenylpyridin-2-amine
CID 11668565
1-[4-(4-Fluorophenyl)butyl]-4-pyridin-2-ylpiperazine
CID 44209480
N-[(4-fluorophenyl)methyl]pyridin-2-amine
CID 462454

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-fluoropyridin-2-amine?
The IUPAC name of N-(1-adamantylmethyl)-3-fluoropyridin-2-amine (CID 138756355) is N-(1-adamantylmethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N-(1-adamantylmethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for N-(1-adamantylmethyl)-3-fluoropyridin-2-amine is Fc1cccnc1NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-fluoropyridin-2-amine?
The InChIKey is RUDHOSYEVDOSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c17-14-2-1-3-18-15(14)19-10-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,18,19).
What are the key properties of N-(1-adamantylmethyl)-3-fluoropyridin-2-amine?
N-(1-adamantylmethyl)-3-fluoropyridin-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 138756355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).