1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine

C16H25ClFNO — CID 103049142

IUPAC1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(Cl)ccc1F)C(OC)C(C)(C)C
InChIInChI=1S/C16H25ClFNO/c1-6-19-14(15(20-5)16(2,3)4)10-11-9-12(17)7-8-13(11)18/h7-9,14-15,19H,6,10H2,1-5H3
InChIKeyYJASLDPZOREOMF-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.06
Rot. Bonds6

About 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine

1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine (PubChem CID 103049142) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
PubChem CID103049142
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(Cl)ccc1F)C(OC)C(C)(C)C
InChIInChI=1S/C16H25ClFNO/c1-6-19-14(15(20-5)16(2,3)4)10-11-9-12(17)7-8-13(11)18/h7-9,14-15,19H,6,10H2,1-5H3
InChIKeyYJASLDPZOREOMF-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
1-(5-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725728
N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724680
1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724752
3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103516664
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103048649
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 103048614
1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115810544
1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724247
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 103048890
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731265

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine (CID 103049142) is 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine is CCNC(Cc1cc(Cl)ccc1F)C(OC)C(C)(C)C.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
The InChIKey is YJASLDPZOREOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFNO/c1-6-19-14(15(20-5)16(2,3)4)10-11-9-12(17)7-8-13(11)18/h7-9,14-15,19H,6,10H2,1-5H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine has a molecular weight of 301.83 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 103049142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).