2-(N-butylanilino)benzaldehyde

C17H19NO — CID 64585010

IUPAC2-(N-butylanilino)benzaldehyde
SMILESCCCCN(c1ccccc1)c1ccccc1C=O
InChIInChI=1S/C17H19NO/c1-2-3-13-18(16-10-5-4-6-11-16)17-12-8-7-9-15(17)14-19/h4-12,14H,2-3,13H2,1H3
InChIKeyBHRZAQMPEWQOHX-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.44
Rot. Bonds6

About 2-(N-butylanilino)benzaldehyde

2-(N-butylanilino)benzaldehyde (PubChem CID 64585010) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(N-butylanilino)benzaldehyde.

Molecular Properties

Compound Name2-(N-butylanilino)benzaldehyde
PubChem CID64585010
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-(N-butylanilino)benzaldehyde
SMILESCCCCN(c1ccccc1)c1ccccc1C=O
InChIInChI=1S/C17H19NO/c1-2-3-13-18(16-10-5-4-6-11-16)17-12-8-7-9-15(17)14-19/h4-12,14H,2-3,13H2,1H3
InChIKeyBHRZAQMPEWQOHX-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(butyl)amino]benzaldehyde
CID 151381446
4-(N-butylanilino)-2-hydroxybenzaldehyde
CID 150085877
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
2-(N-butylanilino)benzoic acid
CID 64586364
2-[butan-2-yl(butyl)amino]benzaldehyde
CID 55004885
1,4-bis(N-butylanilino)anthracene-9,10-dione
CID 71392978
(1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol
CID 103960207
1-[2-(N-butylanilino)-6-fluorophenyl]ethanone
CID 64584809
butane;N-octyl-N-phenylaniline
CID 175431375
N-butyl-2,4-difluoro-N-phenylaniline
CID 68652325
2-(N-butylanilino)-5-methylbenzoic acid
CID 64586948
4-amino-2-(N-butylanilino)benzoic acid
CID 64584256

Frequently Asked Questions

What is the IUPAC name of 2-(N-butylanilino)benzaldehyde?
The IUPAC name of 2-(N-butylanilino)benzaldehyde (CID 64585010) is 2-(N-butylanilino)benzaldehyde.
What is the SMILES notation for 2-(N-butylanilino)benzaldehyde?
The canonical SMILES for 2-(N-butylanilino)benzaldehyde is CCCCN(c1ccccc1)c1ccccc1C=O.
What is the InChIKey of 2-(N-butylanilino)benzaldehyde?
The InChIKey is BHRZAQMPEWQOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-3-13-18(16-10-5-4-6-11-16)17-12-8-7-9-15(17)14-19/h4-12,14H,2-3,13H2,1H3.
What are the key properties of 2-(N-butylanilino)benzaldehyde?
2-(N-butylanilino)benzaldehyde has a molecular weight of 253.35 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-butylanilino)benzaldehyde is sourced from PubChem (CID 64585010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).