3-ethoxy-N-[(2R)-pentan-2-yl]aniline

C13H21NO — CID 93363089

IUPAC3-ethoxy-N-[(2R)-pentan-2-yl]aniline
SMILESCCC[C@@H](C)Nc1cccc(OCC)c1
InChIInChI=1S/C13H21NO/c1-4-7-11(3)14-12-8-6-9-13(10-12)15-5-2/h6,8-11,14H,4-5,7H2,1-3H3/t11-/m1/s1
InChIKeyKUZLODPPHUVVJX-LLVKDONJSA-N
MW207.32 g/mol
LogP3.69
Rot. Bonds6

About 3-ethoxy-N-[(2R)-pentan-2-yl]aniline

3-ethoxy-N-[(2R)-pentan-2-yl]aniline (PubChem CID 93363089) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-ethoxy-N-[(2R)-pentan-2-yl]aniline.

Molecular Properties

Compound Name3-ethoxy-N-[(2R)-pentan-2-yl]aniline
PubChem CID93363089
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-ethoxy-N-[(2R)-pentan-2-yl]aniline
SMILESCCC[C@@H](C)Nc1cccc(OCC)c1
InChIInChI=1S/C13H21NO/c1-4-7-11(3)14-12-8-6-9-13(10-12)15-5-2/h6,8-11,14H,4-5,7H2,1-3H3/t11-/m1/s1
InChIKeyKUZLODPPHUVVJX-LLVKDONJSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-N-[(2R)-pentan-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-undecan-6-ylaniline
CID 63453491
N-heptan-2-yl-3-propoxyaniline
CID 43693607
3-(2-methylpropoxy)-N-nonan-2-ylaniline
CID 63449490
3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 60936370
3-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917474
tert-butyl N-[2-[3-(pentan-2-ylamino)phenoxy]ethyl]carbamate
CID 107244753
3-ethyl-N-pentan-2-ylaniline
CID 43102191
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
2-[3-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43721190
4-[3-(heptan-2-ylamino)phenoxy]butanenitrile
CID 60942616
3-tert-butyl-N-pentan-2-ylaniline
CID 175117578
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2R)-pentan-2-yl]aniline?
The IUPAC name of 3-ethoxy-N-[(2R)-pentan-2-yl]aniline (CID 93363089) is 3-ethoxy-N-[(2R)-pentan-2-yl]aniline.
What is the SMILES notation for 3-ethoxy-N-[(2R)-pentan-2-yl]aniline?
The canonical SMILES for 3-ethoxy-N-[(2R)-pentan-2-yl]aniline is CCC[C@@H](C)Nc1cccc(OCC)c1.
What is the InChIKey of 3-ethoxy-N-[(2R)-pentan-2-yl]aniline?
The InChIKey is KUZLODPPHUVVJX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-7-11(3)14-12-8-6-9-13(10-12)15-5-2/h6,8-11,14H,4-5,7H2,1-3H3/t11-/m1/s1.
What are the key properties of 3-ethoxy-N-[(2R)-pentan-2-yl]aniline?
3-ethoxy-N-[(2R)-pentan-2-yl]aniline has a molecular weight of 207.32 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2R)-pentan-2-yl]aniline is sourced from PubChem (CID 93363089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).