N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine

C14H20FNO — CID 3145047

IUPACN-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2ccc(F)cc2)CCO1
InChIInChI=1S/C14H20FNO/c1-14(2)9-13(7-8-17-14)16-10-11-3-5-12(15)6-4-11/h3-6,13,16H,7-10H2,1-2H3
InChIKeyLSHLORCIQKHXAN-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.87
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine

N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 3145047) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID3145047
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2ccc(F)cc2)CCO1
InChIInChI=1S/C14H20FNO/c1-14(2)9-13(7-8-17-14)16-10-11-3-5-12(15)6-4-11/h3-6,13,16H,7-10H2,1-2H3
InChIKeyLSHLORCIQKHXAN-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-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

N-benzyl-2-[2,2-diethyl-4-(4-fluorophenyl)oxan-4-yl]ethanamine
CID 72711948
(1R)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72711954
(1S)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72712149
(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2,3,4-trifluoro-benzyl)-amine
CID 44441353
Benzyl-(2,2-dimethyl-tetrahydro-pyran-4-YL)-amine hydrochloride
CID 2871809
2-(4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(4-fluorobenzyl)ethanamine
CID 2938065
N-benzyl-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
CID 68314329
2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)-N-(2-fluorobenzyl)ethanamine
CID 2937474
3-(4-Fluorophenyl)morpholine
CID 3831072
2-(2-ethyl-4-(4-fluorophenyl)-2-methyltetrahydro-2H-pyran-4-yl)-N-(4-fluorobenzyl)ethanamine
CID 3132849
Benzyl-(2,2-dimethyl-tetrahydro-pyran-4-yl)-phenethyl-amine
CID 16681847
N-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-amine
CID 2871810

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine (CID 3145047) is N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine is CC1(C)CC(NCc2ccc(F)cc2)CCO1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is LSHLORCIQKHXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2)9-13(7-8-17-14)16-10-11-3-5-12(15)6-4-11/h3-6,13,16H,7-10H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine?
N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 237.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 3145047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).