(1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

C17H23F2NO — CID 115400349

IUPAC(1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C(Nc2ccccc2OC(F)F)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C17H23F2NO/c1-16(2)11-8-9-17(3,10-11)14(16)20-12-6-4-5-7-13(12)21-15(18)19/h4-7,11,14-15,20H,8-10H2,1-3H3/t11-,14?,17+/m0/s1
InChIKeyFKRVQTCWDNZMQU-BLBWXKFCSA-N
MW295.37 g/mol
LogP4.91
Rot. Bonds4

About (1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

(1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 115400349) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is (1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID115400349
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name(1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C(Nc2ccccc2OC(F)F)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C17H23F2NO/c1-16(2)11-8-9-17(3,10-11)14(16)20-12-6-4-5-7-13(12)21-15(18)19/h4-7,11,14-15,20H,8-10H2,1-3H3/t11-,14?,17+/m0/s1
InChIKeyFKRVQTCWDNZMQU-BLBWXKFCSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 115400489
(1R,4S)-N-[3-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400528
(1R,4S)-N-(3-chloro-2-fluorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400420
N-[2-(difluoromethoxy)phenyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64870071
(1R,4S)-N-(2,4-dichlorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400265
N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
CID 65081271
N-[2-(difluoromethoxy)phenyl]thian-4-amine
CID 43511331
(1R,4S)-N-(3,5-dichlorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400287
2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
CID 43106368
3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine
CID 113452035
3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione
CID 146573025
4-methoxy-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzonitrile
CID 81296364

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (CID 115400349) is (1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)C(Nc2ccccc2OC(F)F)[C@]2(C)CC[C@H]1C2.
What is the InChIKey of (1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is FKRVQTCWDNZMQU-BLBWXKFCSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-16(2)11-8-9-17(3,10-11)14(16)20-12-6-4-5-7-13(12)21-15(18)19/h4-7,11,14-15,20H,8-10H2,1-3H3/t11-,14?,17+/m0/s1.
What are the key properties of (1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
(1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 295.37 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N-[2-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).