1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine

C14H21ClFNO — CID 116760823

IUPAC1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
SMILESCCC(CC)(OC)C(NC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H21ClFNO/c1-5-14(6-2,18-4)13(17-3)11-8-7-10(15)9-12(11)16/h7-9,13,17H,5-6H2,1-4H3
InChIKeyAXWRSKWTVDCCQZ-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.94
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine

1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine (PubChem CID 116760823) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
PubChem CID116760823
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
SMILESCCC(CC)(OC)C(NC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H21ClFNO/c1-5-14(6-2,18-4)13(17-3)11-8-7-10(15)9-12(11)16/h7-9,13,17H,5-6H2,1-4H3
InChIKeyAXWRSKWTVDCCQZ-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274485
1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031675
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433952
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737
1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol
CID 116504660
N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
CID 116761268
1-(4-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106848824
1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 103759854
1-(4-chloro-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 105022655

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine (CID 116760823) is 1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine is CCC(CC)(OC)C(NC)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
The InChIKey is AXWRSKWTVDCCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-5-14(6-2,18-4)13(17-3)11-8-7-10(15)9-12(11)16/h7-9,13,17H,5-6H2,1-4H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?
1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine has a molecular weight of 273.78 g/mol, XLogP of 3.94, 6 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)-2-ethyl-2-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 116760823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).