2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine

C18H23FN2 — CID 114831009

IUPAC2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
SMILESCCN(c1ccccc1)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C18H23FN2/c1-3-21(17-10-5-4-6-11-17)18(2,14-20)13-15-8-7-9-16(19)12-15/h4-12H,3,13-14,20H2,1-2H3
InChIKeyLVULZEXKIGZQJL-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.61
Rot. Bonds6

About 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine

2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine (PubChem CID 114831009) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
PubChem CID114831009
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
SMILESCCN(c1ccccc1)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C18H23FN2/c1-3-21(17-10-5-4-6-11-17)18(2,14-20)13-15-8-7-9-16(19)12-15/h4-12H,3,13-14,20H2,1-2H3
InChIKeyLVULZEXKIGZQJL-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044
2-N-cyclohexyl-2-N-ethyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831000
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831424
2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 114831173
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine
CID 79008800
3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831179
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831415
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 114831216
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 114831246
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine (CID 114831009) is 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine is CCN(c1ccccc1)C(C)(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine?
The InChIKey is LVULZEXKIGZQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-21(17-10-5-4-6-11-17)18(2,14-20)13-15-8-7-9-16(19)12-15/h4-12H,3,13-14,20H2,1-2H3.
What are the key properties of 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine?
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 114831009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).