2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine

C15H25FN2O2 — CID 66180018

IUPAC2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine
SMILESCCN(c1ccccc1F)C(C)(CN)CC(OC)OC
InChIInChI=1S/C15H25FN2O2/c1-5-18(13-9-7-6-8-12(13)16)15(2,11-17)10-14(19-3)20-4/h6-9,14H,5,10-11,17H2,1-4H3
InChIKeyDKMSIJBVAFWHHD-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.38
Rot. Bonds8

About 2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine

2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine (PubChem CID 66180018) has the molecular formula C15H25FN2O2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine
PubChem CID66180018
Molecular FormulaC15H25FN2O2
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Name2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine
SMILESCCN(c1ccccc1F)C(C)(CN)CC(OC)OC
InChIInChI=1S/C15H25FN2O2/c1-5-18(13-9-7-6-8-12(13)16)15(2,11-17)10-14(19-3)20-4/h6-9,14H,5,10-11,17H2,1-4H3
InChIKeyDKMSIJBVAFWHHD-UHFFFAOYSA-N
XLogP2.38
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N,2-diethyl-2-N-(2-fluorophenyl)hexane-1,2-diamine
CID 63945348
4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine
CID 66181011
4,4-dimethoxy-2-N,2-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 66180213
2-N-[(4-bromophenyl)methyl]-4,4-dimethoxy-2-N,2-dimethylbutane-1,2-diamine
CID 66180608
2-N-ethyl-2-N-(4-fluorophenyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine
CID 66178863
N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine
CID 113440602
4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine
CID 66180810
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489
2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 104791386
1-N-ethyl-1-N-(2-fluorophenyl)-4-methoxybutane-1,2-diamine
CID 62478003
2-(2-carbamoyl-N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
CID 79513921
2-fluoro-N,N-di(propan-2-yl)aniline
CID 67920255

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine (CID 66180018) is 2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine is CCN(c1ccccc1F)C(C)(CN)CC(OC)OC.
What is the InChIKey of 2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine?
The InChIKey is DKMSIJBVAFWHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-5-18(13-9-7-6-8-12(13)16)15(2,11-17)10-14(19-3)20-4/h6-9,14H,5,10-11,17H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine?
2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine has a molecular weight of 284.38 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-fluorophenyl)-4,4-dimethoxy-2-methylbutane-1,2-diamine is sourced from PubChem (CID 66180018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).