3-butan-2-yloxy-N-(3-phenylpropyl)aniline

C19H25NO — CID 54802732

IUPAC3-butan-2-yloxy-N-(3-phenylpropyl)aniline
SMILESCCC(C)Oc1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-3-16(2)21-19-13-7-12-18(15-19)20-14-8-11-17-9-5-4-6-10-17/h4-7,9-10,12-13,15-16,20H,3,8,11,14H2,1-2H3
InChIKeyYJUPOVUKDKXMDB-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.91
Rot. Bonds8

About 3-butan-2-yloxy-N-(3-phenylpropyl)aniline

3-butan-2-yloxy-N-(3-phenylpropyl)aniline (PubChem CID 54802732) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-(3-phenylpropyl)aniline
PubChem CID54802732
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-butan-2-yloxy-N-(3-phenylpropyl)aniline
SMILESCCC(C)Oc1cccc(NCCCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-3-16(2)21-19-13-7-12-18(15-19)20-14-8-11-17-9-5-4-6-10-17/h4-7,9-10,12-13,15-16,20H,3,8,11,14H2,1-2H3
InChIKeyYJUPOVUKDKXMDB-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54803067
3-butan-2-yloxy-N-(2-naphthalen-1-ylethyl)aniline
CID 54802681
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822
3-hexoxy-N-(3-phenylpropyl)aniline
CID 54800266
N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 54804849
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713
1-[3-(3-phenylpropylamino)phenyl]propan-1-ol
CID 174622954
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-(3-phenylpropyl)aniline?
The IUPAC name of 3-butan-2-yloxy-N-(3-phenylpropyl)aniline (CID 54802732) is 3-butan-2-yloxy-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-(3-phenylpropyl)aniline?
The canonical SMILES for 3-butan-2-yloxy-N-(3-phenylpropyl)aniline is CCC(C)Oc1cccc(NCCCc2ccccc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-(3-phenylpropyl)aniline?
The InChIKey is YJUPOVUKDKXMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-16(2)21-19-13-7-12-18(15-19)20-14-8-11-17-9-5-4-6-10-17/h4-7,9-10,12-13,15-16,20H,3,8,11,14H2,1-2H3.
What are the key properties of 3-butan-2-yloxy-N-(3-phenylpropyl)aniline?
3-butan-2-yloxy-N-(3-phenylpropyl)aniline has a molecular weight of 283.42 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 54802732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).