N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine

C15H21ClFNO — CID 107993179

IUPACN-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(F)c1)C1CCOCC1
InChIInChI=1S/C15H21ClFNO/c1-2-7-18-15(11-5-8-19-9-6-11)12-3-4-13(16)14(17)10-12/h3-4,10-11,15,18H,2,5-9H2,1H3
InChIKeyLNDBVXWSIBVUJS-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.95
Rot. Bonds5

About N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine

N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine (PubChem CID 107993179) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine
PubChem CID107993179
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC NameN-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(F)c1)C1CCOCC1
InChIInChI=1S/C15H21ClFNO/c1-2-7-18-15(11-5-8-19-9-6-11)12-3-4-13(16)14(17)10-12/h3-4,10-11,15,18H,2,5-9H2,1H3
InChIKeyLNDBVXWSIBVUJS-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-3-fluorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107996097
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115567999
N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855741
N-[(3-bromo-4-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856010
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 113337193
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 107993397
N-[(3-bromo-5-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 107945816
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368
(S)-(4-chloro-3-fluorophenyl)-(oxan-4-yl)methanamine
CID 131292483
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine
CID 107289016
N-[2-(2-chloro-5-fluorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 102618966

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine (CID 107993179) is N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)c(F)c1)C1CCOCC1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine?
The InChIKey is LNDBVXWSIBVUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-7-18-15(11-5-8-19-9-6-11)12-3-4-13(16)14(17)10-12/h3-4,10-11,15,18H,2,5-9H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine?
N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine has a molecular weight of 285.79 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 107993179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).