2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine

C14H22F2N2 — CID 79478202

IUPAC2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
SMILESCCC(C)CN(CC)c1ccc(N)cc1C(F)F
InChIInChI=1S/C14H22F2N2/c1-4-10(3)9-18(5-2)13-7-6-11(17)8-12(13)14(15)16/h6-8,10,14H,4-5,9,17H2,1-3H3
InChIKeyLSACJAPBLJWIPG-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.08
Rot. Bonds6

About 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine (PubChem CID 79478202) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
PubChem CID79478202
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
SMILESCCC(C)CN(CC)c1ccc(N)cc1C(F)F
InChIInChI=1S/C14H22F2N2/c1-4-10(3)9-18(5-2)13-7-6-11(17)8-12(13)14(15)16/h6-8,10,14H,4-5,9,17H2,1-3H3
InChIKeyLSACJAPBLJWIPG-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 55229077
2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine
CID 63749183
2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 79483856
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
ethyl 5-amino-2-[ethyl(2-methylbutyl)amino]benzoate
CID 79470096
5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 103287184
2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477918
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
4-bromo-2-N-ethyl-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477416
4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline
CID 79482768
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 79477025

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine (CID 79478202) is 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine is CCC(C)CN(CC)c1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine?
The InChIKey is LSACJAPBLJWIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-4-10(3)9-18(5-2)13-7-6-11(17)8-12(13)14(15)16/h6-8,10,14H,4-5,9,17H2,1-3H3.
What are the key properties of 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine has a molecular weight of 256.34 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine is sourced from PubChem (CID 79478202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).