2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde

C15H22ClNO — CID 63536486

IUPAC2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
SMILESCCC(CC)CN(CC)c1cccc(Cl)c1C=O
InChIInChI=1S/C15H22ClNO/c1-4-12(5-2)10-17(6-3)15-9-7-8-14(16)13(15)11-18/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyFETPRBVQRKVOPE-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.41
Rot. Bonds7

About 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde

2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde (PubChem CID 63536486) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
PubChem CID63536486
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
SMILESCCC(CC)CN(CC)c1cccc(Cl)c1C=O
InChIInChI=1S/C15H22ClNO/c1-4-12(5-2)10-17(6-3)15-9-7-8-14(16)13(15)11-18/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyFETPRBVQRKVOPE-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.41
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-[bis(3-methylbutyl)amino]-6-chlorobenzaldehyde
CID 107870270
2-(aminomethyl)-3-chloro-N-ethyl-N-(2-ethylbutyl)aniline
CID 63406140
2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide
CID 54948718
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzonitrile
CID 63510789
2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 61436638
4-chloro-2-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 114844073
2-(3-chloro-N-ethyl-2-formylanilino)butanamide
CID 123641552
3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine
CID 63076761
1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine
CID 60789812
2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde
CID 54989930
3-[2-[ethyl(2-ethylbutyl)amino]phenyl]prop-2-enoic acid
CID 76999947
2,6-dichlorobenzaldehyde;ethane
CID 90823593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde?
The IUPAC name of 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde (CID 63536486) is 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde?
The canonical SMILES for 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde is CCC(CC)CN(CC)c1cccc(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde?
The InChIKey is FETPRBVQRKVOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-12(5-2)10-17(6-3)15-9-7-8-14(16)13(15)11-18/h7-9,11-12H,4-6,10H2,1-3H3.
What are the key properties of 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde?
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde has a molecular weight of 267.80 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde is sourced from PubChem (CID 63536486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).