N-[(3,5-difluorophenyl)methyl]adamantan-1-amine

C17H21F2N — CID 115978330

IUPACN-[(3,5-difluorophenyl)methyl]adamantan-1-amine
SMILESFc1cc(F)cc(CNC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C17H21F2N/c18-15-4-14(5-16(19)6-15)10-20-17-7-11-1-12(8-17)3-13(2-11)9-17/h4-6,11-13,20H,1-3,7-10H2
InChIKeyHVXPAZFKFINSTB-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.02
Rot. Bonds3

About N-[(3,5-difluorophenyl)methyl]adamantan-1-amine

N-[(3,5-difluorophenyl)methyl]adamantan-1-amine (PubChem CID 115978330) has the molecular formula C17H21F2N and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]adamantan-1-amine
PubChem CID115978330
Molecular FormulaC17H21F2N
Molecular Weight277.36 g/mol
Exact Mass277.16
IUPAC NameN-[(3,5-difluorophenyl)methyl]adamantan-1-amine
SMILESFc1cc(F)cc(CNC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C17H21F2N/c18-15-4-14(5-16(19)6-15)10-20-17-7-11-1-12(8-17)3-13(2-11)9-17/h4-6,11-13,20H,1-3,7-10H2
InChIKeyHVXPAZFKFINSTB-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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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]adamantan-1-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]adamantan-1-amine (CID 115978330) is N-[(3,5-difluorophenyl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]adamantan-1-amine is Fc1cc(F)cc(CNC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]adamantan-1-amine?
The InChIKey is HVXPAZFKFINSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N/c18-15-4-14(5-16(19)6-15)10-20-17-7-11-1-12(8-17)3-13(2-11)9-17/h4-6,11-13,20H,1-3,7-10H2.
What are the key properties of N-[(3,5-difluorophenyl)methyl]adamantan-1-amine?
N-[(3,5-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-[(3,5-difluorophenyl)methyl]adamantan-1-amine is sourced from PubChem (CID 115978330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).