1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

C18H29FN2 — CID 79063225

IUPAC1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCNC(c1ccccc1F)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C18H29FN2/c1-5-20-17(15-10-6-7-11-16(15)19)18(21(3)4)12-8-9-14(2)13-18/h6-7,10-11,14,17,20H,5,8-9,12-13H2,1-4H3
InChIKeyMZKVBWSLZASCSF-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds5

About 1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79063225) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79063225
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCNC(c1ccccc1F)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C18H29FN2/c1-5-20-17(15-10-6-7-11-16(15)19)18(21(3)4)12-8-9-14(2)13-18/h6-7,10-11,14,17,20H,5,8-9,12-13H2,1-4H3
InChIKeyMZKVBWSLZASCSF-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243618
1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063591
1-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 102647756
1-[2-(2-fluorophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243637
1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243573
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769648
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317
1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 104738479
1-[(3-bromo-2-fluorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106645829
1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243646
1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074775
1-(2,3-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768338

Frequently Asked Questions

What is the IUPAC name of 1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79063225) is 1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is CCNC(c1ccccc1F)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is MZKVBWSLZASCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-20-17(15-10-6-7-11-16(15)19)18(21(3)4)12-8-9-14(2)13-18/h6-7,10-11,14,17,20H,5,8-9,12-13H2,1-4H3.
What are the key properties of 1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79063225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).