4-(aminomethyl)-N-butan-2-yl-N-ethylaniline

C13H22N2 — CID 43274064

IUPAC4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
SMILESCCC(C)N(CC)c1ccc(CN)cc1
InChIInChI=1S/C13H22N2/c1-4-11(3)15(5-2)13-8-6-12(10-14)7-9-13/h6-9,11H,4-5,10,14H2,1-3H3
InChIKeyPVROJFXIFFLKQR-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.77
Rot. Bonds5

About 4-(aminomethyl)-N-butan-2-yl-N-ethylaniline

4-(aminomethyl)-N-butan-2-yl-N-ethylaniline (PubChem CID 43274064) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-butan-2-yl-N-ethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
PubChem CID43274064
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
SMILESCCC(C)N(CC)c1ccc(CN)cc1
InChIInChI=1S/C13H22N2/c1-4-11(3)15(5-2)13-8-6-12(10-14)7-9-13/h6-9,11H,4-5,10,14H2,1-3H3
InChIKeyPVROJFXIFFLKQR-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.77
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-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
CID 63368258
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
CID 43587074
4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
CID 82793395
4-(aminomethyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 60930401
(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol
CID 83132626
3-N-butan-2-yl-3-N-ethylbenzene-1,3-diamine
CID 43274249
4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline
CID 55235076
5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine
CID 55000369
4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43569588
4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline
CID 54935598
4-(1-aminoethyl)-3-bromo-N-butan-2-yl-N-ethylaniline
CID 114068934
N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
CID 43136067

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-butan-2-yl-N-ethylaniline?
The IUPAC name of 4-(aminomethyl)-N-butan-2-yl-N-ethylaniline (CID 43274064) is 4-(aminomethyl)-N-butan-2-yl-N-ethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-butan-2-yl-N-ethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-butan-2-yl-N-ethylaniline is CCC(C)N(CC)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-butan-2-yl-N-ethylaniline?
The InChIKey is PVROJFXIFFLKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-11(3)15(5-2)13-8-6-12(10-14)7-9-13/h6-9,11H,4-5,10,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-butan-2-yl-N-ethylaniline?
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline has a molecular weight of 206.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-butan-2-yl-N-ethylaniline is sourced from PubChem (CID 43274064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).