N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine

C15H21ClFNO — CID 103041097

IUPACN-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(F)c(Cl)c2)CCOCC1
InChIInChI=1S/C15H21ClFNO/c1-2-18-11-15(5-7-19-8-6-15)10-12-3-4-14(17)13(16)9-12/h3-4,9,18H,2,5-8,10-11H2,1H3
InChIKeyCLLZRJVFSVXOMZ-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.43
Rot. Bonds5

About N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine

N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 103041097) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine
PubChem CID103041097
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC NameN-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(F)c(Cl)c2)CCOCC1
InChIInChI=1S/C15H21ClFNO/c1-2-18-11-15(5-7-19-8-6-15)10-12-3-4-14(17)13(16)9-12/h3-4,9,18H,2,5-8,10-11H2,1H3
InChIKeyCLLZRJVFSVXOMZ-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine 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

5-(3,4-Dichlorophenyl)-9-oxa-2-azaspiro[5.5]undecane
CID 145970103
(1R,6S)-6-(3-chloro-4-fluorophenyl)-1-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
CID 24803185
4-[1-(3-Chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride
CID 73347528
4-[1-(3-Chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
CID 73353582
[4-(3-Chlorophenyl)oxan-4-yl]methanamine
CID 24273961
[3-(3-Chlorobenzyl)-3-piperidinyl]methanol hydrochloride
CID 56740964
1-(3-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103029547
1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029548
1-(3-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103029549
1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031260
1-(5-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031341
1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031423

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine (CID 103041097) is N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(Cc2ccc(F)c(Cl)c2)CCOCC1.
What is the InChIKey of N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is CLLZRJVFSVXOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-18-11-15(5-7-19-8-6-15)10-12-3-4-14(17)13(16)9-12/h3-4,9,18H,2,5-8,10-11H2,1H3.
What are the key properties of N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 285.79 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 103041097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).