N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine

C17H29FN2 — CID 62644486

IUPACN-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
SMILESCCCC(C)N(C)CCC(NCC)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-5-9-14(3)20(4)13-12-17(19-6-2)15-10-7-8-11-16(15)18/h7-8,10-11,14,17,19H,5-6,9,12-13H2,1-4H3
InChIKeyACWFJZQUYOHFNV-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.99
Rot. Bonds9

About N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine

N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine (PubChem CID 62644486) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
PubChem CID62644486
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
SMILESCCCC(C)N(C)CCC(NCC)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-5-9-14(3)20(4)13-12-17(19-6-2)15-10-7-8-11-16(15)18/h7-8,10-11,14,17,19H,5-6,9,12-13H2,1-4H3
InChIKeyACWFJZQUYOHFNV-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62643860
N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644105
N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63633032
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 63495417
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 105119949
N-ethyl-2-(2-fluorophenyl)hexan-3-amine
CID 83051211
1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630308
N'-cyclopropyl-N-ethyl-1-(2-fluorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62642973
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
CID 106799773
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 62644973

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine (CID 62644486) is N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine is CCCC(C)N(C)CCC(NCC)c1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
The InChIKey is ACWFJZQUYOHFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-9-14(3)20(4)13-12-17(19-6-2)15-10-7-8-11-16(15)18/h7-8,10-11,14,17,19H,5-6,9,12-13H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62644486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).