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

C14H19ClFNO — CID 103043459

IUPAC2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)C1CCCCO1
InChIInChI=1S/C14H19ClFNO/c1-17-13(14-4-2-3-7-18-14)9-10-5-6-12(16)11(15)8-10/h5-6,8,13-14,17H,2-4,7,9H2,1H3
InChIKeyONCRWVNZVCTTCU-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.18
Rot. Bonds4

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

2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine (PubChem CID 103043459) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
PubChem CID103043459
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)C1CCCCO1
InChIInChI=1S/C14H19ClFNO/c1-17-13(14-4-2-3-7-18-14)9-10-5-6-12(16)11(15)8-10/h5-6,8,13-14,17H,2-4,7,9H2,1H3
InChIKeyONCRWVNZVCTTCU-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115843395
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 103040293
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 103040274
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115849284
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
[2-(3,4-difluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229142
2-(3,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 115875400
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine (CID 103043459) is 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine is CNC(Cc1ccc(F)c(Cl)c1)C1CCCCO1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine?
The InChIKey is ONCRWVNZVCTTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-17-13(14-4-2-3-7-18-14)9-10-5-6-12(16)11(15)8-10/h5-6,8,13-14,17H,2-4,7,9H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine has a molecular weight of 271.76 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine is sourced from PubChem (CID 103043459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).