4-(N-butylanilino)-2-hydroxybenzaldehyde

C17H19NO2 — CID 150085877

IUPAC4-(N-butylanilino)-2-hydroxybenzaldehyde
SMILESCCCCN(c1ccccc1)c1ccc(C=O)c(O)c1
InChIInChI=1S/C17H19NO2/c1-2-3-11-18(15-7-5-4-6-8-15)16-10-9-14(13-19)17(20)12-16/h4-10,12-13,20H,2-3,11H2,1H3
InChIKeyDSFGHDGTMKXRFT-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.14
Rot. Bonds6

About 4-(N-butylanilino)-2-hydroxybenzaldehyde

4-(N-butylanilino)-2-hydroxybenzaldehyde (PubChem CID 150085877) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(N-butylanilino)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(N-butylanilino)-2-hydroxybenzaldehyde
PubChem CID150085877
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-(N-butylanilino)-2-hydroxybenzaldehyde
SMILESCCCCN(c1ccccc1)c1ccc(C=O)c(O)c1
InChIInChI=1S/C17H19NO2/c1-2-3-11-18(15-7-5-4-6-8-15)16-10-9-14(13-19)17(20)12-16/h4-10,12-13,20H,2-3,11H2,1H3
InChIKeyDSFGHDGTMKXRFT-UHFFFAOYSA-N
XLogP4.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-butylanilino)benzaldehyde
CID 64585010
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
4-(N-ethylanilino)-2-methylbenzaldehyde
CID 62135921
3-(N-hexadecylanilino)phenol
CID 21083116
N-butyl-3-chloro-N-phenylaniline
CID 23348476
1-N-butyl-4-methyl-1-N-phenylbenzene-1,3-diamine
CID 64584977
4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate
CID 159168735
butane;N-octyl-N-phenylaniline
CID 175431375
benzene;N-octyl-N-phenylnaphthalen-2-amine
CID 174859594
4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine
CID 67184223
4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde
CID 88729636
4-(aminomethyl)-N-butyl-3-fluoro-N-phenylaniline
CID 115366899

Frequently Asked Questions

What is the IUPAC name of 4-(N-butylanilino)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(N-butylanilino)-2-hydroxybenzaldehyde (CID 150085877) is 4-(N-butylanilino)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(N-butylanilino)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(N-butylanilino)-2-hydroxybenzaldehyde is CCCCN(c1ccccc1)c1ccc(C=O)c(O)c1.
What is the InChIKey of 4-(N-butylanilino)-2-hydroxybenzaldehyde?
The InChIKey is DSFGHDGTMKXRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-3-11-18(15-7-5-4-6-8-15)16-10-9-14(13-19)17(20)12-16/h4-10,12-13,20H,2-3,11H2,1H3.
What are the key properties of 4-(N-butylanilino)-2-hydroxybenzaldehyde?
4-(N-butylanilino)-2-hydroxybenzaldehyde has a molecular weight of 269.34 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-butylanilino)-2-hydroxybenzaldehyde is sourced from PubChem (CID 150085877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).