N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine

C17H28FNO — CID 106882034

IUPACN,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine
SMILESCCNC(c1c(C)cc(C)cc1F)C(CC)(CC)OC
InChIInChI=1S/C17H28FNO/c1-7-17(8-2,20-6)16(19-9-3)15-13(5)10-12(4)11-14(15)18/h10-11,16,19H,7-9H2,1-6H3
InChIKeyNKIKHCPESMEQQC-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.30
Rot. Bonds7

About N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine

N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine (PubChem CID 106882034) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine
PubChem CID106882034
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC NameN,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine
SMILESCCNC(c1c(C)cc(C)cc1F)C(CC)(CC)OC
InChIInChI=1S/C17H28FNO/c1-7-17(8-2,20-6)16(19-9-3)15-13(5)10-12(4)11-14(15)18/h10-11,16,19H,7-9H2,1-6H3
InChIKeyNKIKHCPESMEQQC-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutyl]hydrazine
CID 106884445
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
CID 116761268
N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881773
3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106883936
N-[(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881521
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106882073
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 106883650

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine?
The IUPAC name of N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine (CID 106882034) is N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine?
The canonical SMILES for N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine is CCNC(c1c(C)cc(C)cc1F)C(CC)(CC)OC.
What is the InChIKey of N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine?
The InChIKey is NKIKHCPESMEQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-7-17(8-2,20-6)16(19-9-3)15-13(5)10-12(4)11-14(15)18/h10-11,16,19H,7-9H2,1-6H3.
What are the key properties of N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine?
N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine has a molecular weight of 281.41 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine is sourced from PubChem (CID 106882034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).