N-(1-ethoxypropan-2-yl)-4-propylaniline

C14H23NO — CID 115917220

IUPACN-(1-ethoxypropan-2-yl)-4-propylaniline
SMILESCCCc1ccc(NC(C)COCC)cc1
InChIInChI=1S/C14H23NO/c1-4-6-13-7-9-14(10-8-13)15-12(3)11-16-5-2/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyUCRSOOJPQHLLIG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.48
Rot. Bonds7

About N-(1-ethoxypropan-2-yl)-4-propylaniline

N-(1-ethoxypropan-2-yl)-4-propylaniline (PubChem CID 115917220) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-4-propylaniline.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-4-propylaniline
PubChem CID115917220
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(1-ethoxypropan-2-yl)-4-propylaniline
SMILESCCCc1ccc(NC(C)COCC)cc1
InChIInChI=1S/C14H23NO/c1-4-6-13-7-9-14(10-8-13)15-12(3)11-16-5-2/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyUCRSOOJPQHLLIG-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-(1-methoxypropan-2-yl)aniline
CID 62536026
N-(3-methylpentan-2-yl)-4-propylaniline
CID 43096096
1-[4-(1-ethoxypropan-2-ylamino)phenyl]propan-1-one
CID 114066673
N-(5,5-dimethylhexan-2-yl)-4-propylaniline
CID 114279897
6-ethoxy-N-(1-ethoxypropan-2-yl)pyridin-3-amine
CID 115922413
N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline
CID 115917084
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
N-(1-ethoxypropan-2-yl)-4-pyrazol-1-ylaniline
CID 75483453
N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline
CID 97337940
N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine
CID 115929463
N-(1-ethoxypropan-2-yl)-4-(triazol-1-yl)aniline
CID 86787554
2-[4-(pentan-2-ylamino)phenyl]ethanol
CID 61237126

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-4-propylaniline?
The IUPAC name of N-(1-ethoxypropan-2-yl)-4-propylaniline (CID 115917220) is N-(1-ethoxypropan-2-yl)-4-propylaniline.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-4-propylaniline?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-4-propylaniline is CCCc1ccc(NC(C)COCC)cc1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-4-propylaniline?
The InChIKey is UCRSOOJPQHLLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-13-7-9-14(10-8-13)15-12(3)11-16-5-2/h7-10,12,15H,4-6,11H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-4-propylaniline?
N-(1-ethoxypropan-2-yl)-4-propylaniline has a molecular weight of 221.34 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-4-propylaniline is sourced from PubChem (CID 115917220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).