2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine

C18H31FN2 — CID 79058314

IUPAC2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine
SMILESCCNC(Cc1cccc(F)c1)C(C)(CC)N(CC)CC
InChIInChI=1S/C18H31FN2/c1-6-18(5,21(8-3)9-4)17(20-7-2)14-15-11-10-12-16(19)13-15/h10-13,17,20H,6-9,14H2,1-5H3
InChIKeyQVAKOMVGEIQVTK-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.86
Rot. Bonds9

About 2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine

2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine (PubChem CID 79058314) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine
PubChem CID79058314
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine
SMILESCCNC(Cc1cccc(F)c1)C(C)(CC)N(CC)CC
InChIInChI=1S/C18H31FN2/c1-6-18(5,21(8-3)9-4)17(20-7-2)14-15-11-10-12-16(19)13-15/h10-13,17,20H,6-9,14H2,1-5H3
InChIKeyQVAKOMVGEIQVTK-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
CID 116759095
2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine
CID 79069073
[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105286476
N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79052240
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 107895162
1-(3-bromo-4-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063157
1-(2,5-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064460
1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070691
N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
CID 71052511
N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 62679178
1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine
CID 102619050

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine?
The IUPAC name of 2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine (CID 79058314) is 2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine.
What is the SMILES notation for 2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine?
The canonical SMILES for 2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine is CCNC(Cc1cccc(F)c1)C(C)(CC)N(CC)CC.
What is the InChIKey of 2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine?
The InChIKey is QVAKOMVGEIQVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-6-18(5,21(8-3)9-4)17(20-7-2)14-15-11-10-12-16(19)13-15/h10-13,17,20H,6-9,14H2,1-5H3.
What are the key properties of 2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine?
2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine has a molecular weight of 294.46 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine is sourced from PubChem (CID 79058314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).