4-butan-2-yloxy-N-(cyclohexylmethyl)aniline

C17H27NO — CID 54802779

IUPAC4-butan-2-yloxy-N-(cyclohexylmethyl)aniline
SMILESCCC(C)Oc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-3-14(2)19-17-11-9-16(10-12-17)18-13-15-7-5-4-6-8-15/h9-12,14-15,18H,3-8,13H2,1-2H3
InChIKeyXITUHRXRSVXHBB-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.86
Rot. Bonds6

About 4-butan-2-yloxy-N-(cyclohexylmethyl)aniline

4-butan-2-yloxy-N-(cyclohexylmethyl)aniline (PubChem CID 54802779) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-(cyclohexylmethyl)aniline.

Molecular Properties

Compound Name4-butan-2-yloxy-N-(cyclohexylmethyl)aniline
PubChem CID54802779
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-butan-2-yloxy-N-(cyclohexylmethyl)aniline
SMILESCCC(C)Oc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-3-14(2)19-17-11-9-16(10-12-17)18-13-15-7-5-4-6-8-15/h9-12,14-15,18H,3-8,13H2,1-2H3
InChIKeyXITUHRXRSVXHBB-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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CID 3293
4-Isopropoxydiphenylamine
CID 7574
Florbetaben (18F)
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1-(4-Methoxyphenyl)piperazine
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N-[4-(benzyloxy)phenyl]glycinamide
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N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
Florbetaben unlabelled
CID 53257383
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
CID 44129620
(4-Methoxyphenyl)-[2-(p-anisidino)ethyl]amine
CID 1809552
3-(4-Ethoxyanilino)-1-(4-fluorophenyl)-1-propanol
CID 3427706

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-(cyclohexylmethyl)aniline?
The IUPAC name of 4-butan-2-yloxy-N-(cyclohexylmethyl)aniline (CID 54802779) is 4-butan-2-yloxy-N-(cyclohexylmethyl)aniline.
What is the SMILES notation for 4-butan-2-yloxy-N-(cyclohexylmethyl)aniline?
The canonical SMILES for 4-butan-2-yloxy-N-(cyclohexylmethyl)aniline is CCC(C)Oc1ccc(NCC2CCCCC2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-(cyclohexylmethyl)aniline?
The InChIKey is XITUHRXRSVXHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14(2)19-17-11-9-16(10-12-17)18-13-15-7-5-4-6-8-15/h9-12,14-15,18H,3-8,13H2,1-2H3.
What are the key properties of 4-butan-2-yloxy-N-(cyclohexylmethyl)aniline?
4-butan-2-yloxy-N-(cyclohexylmethyl)aniline has a molecular weight of 261.41 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-(cyclohexylmethyl)aniline is sourced from PubChem (CID 54802779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).