4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline

C14H24N2 — CID 63368258

IUPAC4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
SMILESCCC(C)N(CC)c1ccc([C@H](C)N)cc1
InChIInChI=1S/C14H24N2/c1-5-11(3)16(6-2)14-9-7-13(8-10-14)12(4)15/h7-12H,5-6,15H2,1-4H3/t11?,12-/m0/s1
InChIKeySPTVEOTWCSNIFN-KIYNQFGBSA-N
MW220.36 g/mol
LogP3.33
Rot. Bonds5

About 4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline

4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline (PubChem CID 63368258) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
PubChem CID63368258
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
SMILESCCC(C)N(CC)c1ccc([C@H](C)N)cc1
InChIInChI=1S/C14H24N2/c1-5-11(3)16(6-2)14-9-7-13(8-10-14)12(4)15/h7-12H,5-6,15H2,1-4H3/t11?,12-/m0/s1
InChIKeySPTVEOTWCSNIFN-KIYNQFGBSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
CID 78936154
4-(1-aminoethyl)-N-butan-2-yl-N-butylaniline
CID 55005473
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064
2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol
CID 55188530
4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline
CID 79477951
4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline
CID 114068934
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol
CID 104552414
4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935285
1-(4-pentan-3-ylphenyl)ethanamine
CID 83829968
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline?
The IUPAC name of 4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline (CID 63368258) is 4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline is CCC(C)N(CC)c1ccc([C@H](C)N)cc1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline?
The InChIKey is SPTVEOTWCSNIFN-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-11(3)16(6-2)14-9-7-13(8-10-14)12(4)15/h7-12H,5-6,15H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline?
4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline has a molecular weight of 220.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline is sourced from PubChem (CID 63368258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).