N-[(2,3-difluorophenyl)methyl]adamantan-1-amine

C17H21F2N — CID 43425247

IUPACN-[(2,3-difluorophenyl)methyl]adamantan-1-amine
SMILESFc1cccc(CNC23CC4CC(CC(C4)C2)C3)c1F
InChIInChI=1S/C17H21F2N/c18-15-3-1-2-14(16(15)19)10-20-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13,20H,4-10H2
InChIKeyGBCCACFUPUDNSO-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.02
Rot. Bonds3

About N-[(2,3-difluorophenyl)methyl]adamantan-1-amine

N-[(2,3-difluorophenyl)methyl]adamantan-1-amine (PubChem CID 43425247) has the molecular formula C17H21F2N and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]adamantan-1-amine
PubChem CID43425247
Molecular FormulaC17H21F2N
Molecular Weight277.36 g/mol
Exact Mass277.16
IUPAC NameN-[(2,3-difluorophenyl)methyl]adamantan-1-amine
SMILESFc1cccc(CNC23CC4CC(CC(C4)C2)C3)c1F
InChIInChI=1S/C17H21F2N/c18-15-3-1-2-14(16(15)19)10-20-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13,20H,4-10H2
InChIKeyGBCCACFUPUDNSO-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1-adamantylamino)methyl]-2-fluorobenzonitrile
CID 107114332
N-[(2-chlorophenyl)methyl]adamantan-1-amine
CID 4719217
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]adamantan-1-amine
CID 4721792
N-[[5-(2-fluoro-6-methylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
CID 118215707
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 66535840
N-[(3,5-difluorophenyl)methyl]adamantan-1-amine
CID 115978330
methyl 4-[(1-adamantylamino)methyl]-3-fluorobenzoate
CID 134584699
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
2-[(1-adamantylamino)methyl]-4-methylphenol
CID 63323320
2-(1-adamantylamino)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 7666448
N-[[3-[[(3-ethylphenyl)methylamino]methyl]phenyl]methyl]adamantan-1-amine
CID 166849379
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-1-amine
CID 4721676

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]adamantan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]adamantan-1-amine (CID 43425247) is N-[(2,3-difluorophenyl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]adamantan-1-amine is Fc1cccc(CNC23CC4CC(CC(C4)C2)C3)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]adamantan-1-amine?
The InChIKey is GBCCACFUPUDNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N/c18-15-3-1-2-14(16(15)19)10-20-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13,20H,4-10H2.
What are the key properties of N-[(2,3-difluorophenyl)methyl]adamantan-1-amine?
N-[(2,3-difluorophenyl)methyl]adamantan-1-amine has a molecular weight of 277.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]adamantan-1-amine is sourced from PubChem (CID 43425247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).