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

C15H25FN2 — CID 114831044

IUPAC2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(C(C)C)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-5-18(12(2)3)15(4,11-17)10-13-7-6-8-14(16)9-13/h6-9,12H,5,10-11,17H2,1-4H3
InChIKeyOYHMTZCHHPQQMY-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.82
Rot. Bonds6

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

2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 114831044) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID114831044
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(C(C)C)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-5-18(12(2)3)15(4,11-17)10-13-7-6-8-14(16)9-13/h6-9,12H,5,10-11,17H2,1-4H3
InChIKeyOYHMTZCHHPQQMY-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
CID 114831009
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
2-N-cyclohexyl-2-N-ethyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831000
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 114831246
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
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831415
3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831179
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114833983
3,3-difluoro-4-(3-fluorophenyl)butan-2-amine
CID 105455070
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-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine (CID 114831044) is 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine is CCN(C(C)C)C(C)(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is OYHMTZCHHPQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-18(12(2)3)15(4,11-17)10-13-7-6-8-14(16)9-13/h6-9,12H,5,10-11,17H2,1-4H3.
What are the key properties of 2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine?
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.82, 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-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 114831044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).