1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

C15H21ClFNO — CID 105022709

IUPAC1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H21ClFNO/c1-18-15(8-6-12-4-2-3-9-19-12)13-7-5-11(16)10-14(13)17/h5,7,10,12,15,18H,2-4,6,8-9H2,1H3
InChIKeyYBYYTPHFAVCQDU-UHFFFAOYSA-N
MW285.79 g/mol
LogP4.09
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 105022709) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
PubChem CID105022709
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H21ClFNO/c1-18-15(8-6-12-4-2-3-9-19-12)13-7-5-11(16)10-14(13)17/h5,7,10,12,15,18H,2-4,6,8-9H2,1H3
InChIKeyYBYYTPHFAVCQDU-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
1-(4-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164563
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164611
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 106877800
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 65299103
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 81304740
2-[3-chloro-3-(2,4-dichlorophenyl)propyl]oxane
CID 63951587
1-(2,4-dichlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63952139
[1-(2-fluoro-4-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 103397792
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 107946074

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (CID 105022709) is 1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is CNC(CCC1CCCCO1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is YBYYTPHFAVCQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-18-15(8-6-12-4-2-3-9-19-12)13-7-5-11(16)10-14(13)17/h5,7,10,12,15,18H,2-4,6,8-9H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine has a molecular weight of 285.79 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 105022709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).