4-(4-aminobutan-2-yloxy)aniline

C10H16N2O — CID 156542424

IUPAC4-(4-aminobutan-2-yloxy)aniline
SMILESCC(CCN)Oc1ccc(N)cc1
InChIInChI=1S/C10H16N2O/c1-8(6-7-11)13-10-4-2-9(12)3-5-10/h2-5,8H,6-7,11-12H2,1H3
InChIKeyUVDSFYVRZKDVEN-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.38
Rot. Bonds4

About 4-(4-aminobutan-2-yloxy)aniline

4-(4-aminobutan-2-yloxy)aniline (PubChem CID 156542424) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(4-aminobutan-2-yloxy)aniline.

Molecular Properties

Compound Name4-(4-aminobutan-2-yloxy)aniline
PubChem CID156542424
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(4-aminobutan-2-yloxy)aniline
SMILESCC(CCN)Oc1ccc(N)cc1
InChIInChI=1S/C10H16N2O/c1-8(6-7-11)13-10-4-2-9(12)3-5-10/h2-5,8H,6-7,11-12H2,1H3
InChIKeyUVDSFYVRZKDVEN-UHFFFAOYSA-N
XLogP1.38
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butan-2-yloxyaniline
CID 13097722
4-[4-(diethylamino)butan-2-yloxy]aniline
CID 82037005
4-[4-(4-aminobutan-2-yl)phenoxy]aniline
CID 116996697
4-(4-aminobutan-2-yloxy)-2-tert-butylphenol
CID 54454280
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
4-(1-ethoxyethoxy)aniline
CID 139920192
4-[4-(2-methoxyethyl)phenoxy]pentan-1-amine
CID 62485903
2-[(2R)-2-(4-aminophenoxy)propanoyl]oxyethyl (2R)-2-(4-aminophenoxy)propanoate
CID 124562471
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline
CID 66580012
4-(1,3-dimethoxypropan-2-yloxy)aniline
CID 129353732

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutan-2-yloxy)aniline?
The IUPAC name of 4-(4-aminobutan-2-yloxy)aniline (CID 156542424) is 4-(4-aminobutan-2-yloxy)aniline.
What is the SMILES notation for 4-(4-aminobutan-2-yloxy)aniline?
The canonical SMILES for 4-(4-aminobutan-2-yloxy)aniline is CC(CCN)Oc1ccc(N)cc1.
What is the InChIKey of 4-(4-aminobutan-2-yloxy)aniline?
The InChIKey is UVDSFYVRZKDVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(6-7-11)13-10-4-2-9(12)3-5-10/h2-5,8H,6-7,11-12H2,1H3.
What are the key properties of 4-(4-aminobutan-2-yloxy)aniline?
4-(4-aminobutan-2-yloxy)aniline has a molecular weight of 180.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutan-2-yloxy)aniline is sourced from PubChem (CID 156542424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).