2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine

C14H21FN2O — CID 114118711

IUPAC2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine
SMILESCCOC1CC(Nc2cc(F)ccc2N)C1(C)C
InChIInChI=1S/C14H21FN2O/c1-4-18-13-8-12(14(13,2)3)17-11-7-9(15)5-6-10(11)16/h5-7,12-13,17H,4,8,16H2,1-3H3
InChIKeyCUVNIDTXCWDSIP-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.02
Rot. Bonds4

About 2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine

2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine (PubChem CID 114118711) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine
PubChem CID114118711
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine
SMILESCCOC1CC(Nc2cc(F)ccc2N)C1(C)C
InChIInChI=1S/C14H21FN2O/c1-4-18-13-8-12(14(13,2)3)17-11-7-9(15)5-6-10(11)16/h5-7,12-13,17H,4,8,16H2,1-3H3
InChIKeyCUVNIDTXCWDSIP-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
CID 64851695
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoro-4-methylaniline
CID 64853264
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
CID 64852729
5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,4-difluorobenzamide
CID 64851902
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4,5-trifluoroaniline
CID 64850764
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-fluoro-2-methylaniline
CID 65168180
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
CID 64852282
2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline
CID 107630674
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline
CID 64850520
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline
CID 64850915
5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline
CID 64853292
6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
CID 114051597

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine (CID 114118711) is 2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine is CCOC1CC(Nc2cc(F)ccc2N)C1(C)C.
What is the InChIKey of 2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is CUVNIDTXCWDSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-18-13-8-12(14(13,2)3)17-11-7-9(15)5-6-10(11)16/h5-7,12-13,17H,4,8,16H2,1-3H3.
What are the key properties of 2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine?
2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 252.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 114118711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).