4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline

C13H22N2 — CID 43265922

IUPAC4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
SMILESCCN(CCc1ccc(N)cc1)C(C)C
InChIInChI=1S/C13H22N2/c1-4-15(11(2)3)10-9-12-5-7-13(14)8-6-12/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyWTMWZRFNLMFZFU-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.54
Rot. Bonds5

About 4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline

4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline (PubChem CID 43265922) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
PubChem CID43265922
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
SMILESCCN(CCc1ccc(N)cc1)C(C)C
InChIInChI=1S/C13H22N2/c1-4-15(11(2)3)10-9-12-5-7-13(14)8-6-12/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyWTMWZRFNLMFZFU-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline
CID 79483188
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline
CID 115341946
4-[3-(diethylamino)propyl]aniline
CID 10608385
4-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891822
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
CID 115342218
3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine
CID 54855366
4-[3-(4-aminophenyl)propanoyl-propan-2-ylamino]butanoic acid
CID 115341317
4-[[ethyl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
CID 106725897
4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline
CID 115341949
4-[3-[butan-2-yl(2-methoxyethyl)amino]propyl]aniline
CID 115341943

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline?
The IUPAC name of 4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline (CID 43265922) is 4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline.
What is the SMILES notation for 4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline?
The canonical SMILES for 4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline is CCN(CCc1ccc(N)cc1)C(C)C.
What is the InChIKey of 4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline?
The InChIKey is WTMWZRFNLMFZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15(11(2)3)10-9-12-5-7-13(14)8-6-12/h5-8,11H,4,9-10,14H2,1-3H3.
What are the key properties of 4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline?
4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline has a molecular weight of 206.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline is sourced from PubChem (CID 43265922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).