4-[1-[ethyl(propyl)amino]propan-2-yl]aniline

C14H24N2 — CID 57120163

IUPAC4-[1-[ethyl(propyl)amino]propan-2-yl]aniline
SMILESCCCN(CC)CC(C)c1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-4-10-16(5-2)11-12(3)13-6-8-14(15)9-7-13/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyQBCUMDUQWWRZPV-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.10
Rot. Bonds6

About 4-[1-[ethyl(propyl)amino]propan-2-yl]aniline

4-[1-[ethyl(propyl)amino]propan-2-yl]aniline (PubChem CID 57120163) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[1-[ethyl(propyl)amino]propan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-[ethyl(propyl)amino]propan-2-yl]aniline
PubChem CID57120163
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[1-[ethyl(propyl)amino]propan-2-yl]aniline
SMILESCCCN(CC)CC(C)c1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-4-10-16(5-2)11-12(3)13-6-8-14(15)9-7-13/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyQBCUMDUQWWRZPV-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-phenyl-N-propylpropan-1-amine
CID 143014369
4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
CID 113419964
4-[1-(dimethylamino)propan-2-yl]aniline
CID 115015271
4-[1-(diethylamino)propan-2-yl]phenol
CID 115025478
4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline
CID 104501682
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
CID 62266967
4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
CID 115342218
4-docosan-2-ylaniline
CID 22757336
1-(4-aminophenyl)ethanone;N,N-diethylpropan-1-amine
CID 142186715
3-(4-aminophenyl)-N-propyl-N-prop-2-ynylbutanamide
CID 104502911

Frequently Asked Questions

What is the IUPAC name of 4-[1-[ethyl(propyl)amino]propan-2-yl]aniline?
The IUPAC name of 4-[1-[ethyl(propyl)amino]propan-2-yl]aniline (CID 57120163) is 4-[1-[ethyl(propyl)amino]propan-2-yl]aniline.
What is the SMILES notation for 4-[1-[ethyl(propyl)amino]propan-2-yl]aniline?
The canonical SMILES for 4-[1-[ethyl(propyl)amino]propan-2-yl]aniline is CCCN(CC)CC(C)c1ccc(N)cc1.
What is the InChIKey of 4-[1-[ethyl(propyl)amino]propan-2-yl]aniline?
The InChIKey is QBCUMDUQWWRZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-10-16(5-2)11-12(3)13-6-8-14(15)9-7-13/h6-9,12H,4-5,10-11,15H2,1-3H3.
What are the key properties of 4-[1-[ethyl(propyl)amino]propan-2-yl]aniline?
4-[1-[ethyl(propyl)amino]propan-2-yl]aniline has a molecular weight of 220.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[ethyl(propyl)amino]propan-2-yl]aniline is sourced from PubChem (CID 57120163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).