1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine

C15H25FN2 — CID 65267083

IUPAC1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine
SMILESCCN(CC(C)(C)C(C)(C)N)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-6-18(11-14(2,3)15(4,5)17)13-9-7-12(16)8-10-13/h7-10H,6,11,17H2,1-5H3
InChIKeyPKFCIBZCNZTVCN-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.42
Rot. Bonds5

About 1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine

1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine (PubChem CID 65267083) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine
PubChem CID65267083
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine
SMILESCCN(CC(C)(C)C(C)(C)N)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-6-18(11-14(2,3)15(4,5)17)13-9-7-12(16)8-10-13/h7-10H,6,11,17H2,1-5H3
InChIKeyPKFCIBZCNZTVCN-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 592416
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3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
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N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride
CID 119929750
2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide
CID 63927629
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
CID 66453210
2-(N-ethyl-4-fluoroanilino)-N'-hydroxyethanimidamide
CID 76931380
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CID 81080487

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine?
The IUPAC name of 1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine (CID 65267083) is 1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine is CCN(CC(C)(C)C(C)(C)N)c1ccc(F)cc1.
What is the InChIKey of 1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine?
The InChIKey is PKFCIBZCNZTVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-6-18(11-14(2,3)15(4,5)17)13-9-7-12(16)8-10-13/h7-10H,6,11,17H2,1-5H3.
What are the key properties of 1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine?
1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine is sourced from PubChem (CID 65267083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).