3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane

C24H37NO — CID 143339611

IUPAC3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane
SMILESCC.CC.CCCCc1ccccc1-c1ccc(CC(C=O)NC)cc1
InChIInChI=1S/C20H25NO.2C2H6/c1-3-4-7-17-8-5-6-9-20(17)18-12-10-16(11-13-18)14-19(15-22)21-2;2*1-2/h5-6,8-13,15,19,21H,3-4,7,14H2,1-2H3;2*1-2H3
InChIKeyXMYQKOCSLZRFNC-UHFFFAOYSA-N
MW355.57 g/mol
LogP6.08
Rot. Bonds8

About 3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane

3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane (PubChem CID 143339611) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is 3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane.

Molecular Properties

Compound Name3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane
PubChem CID143339611
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane
SMILESCC.CC.CCCCc1ccccc1-c1ccc(CC(C=O)NC)cc1
InChIInChI=1S/C20H25NO.2C2H6/c1-3-4-7-17-8-5-6-9-20(17)18-12-10-16(11-13-18)14-19(15-22)21-2;2*1-2/h5-6,8-13,15,19,21H,3-4,7,14H2,1-2H3;2*1-2H3
InChIKeyXMYQKOCSLZRFNC-UHFFFAOYSA-N
XLogP6.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methylamino)-3-phenylpropanal
CID 22820878
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
1-(2-butylphenyl)-3-(4-butylphenyl)-2-methylbenzene
CID 156826942
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
gold;1-pentyl-2-phenylbenzene
CID 174945702
N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine
CID 63424634
2-(2-butylphenyl)naphthalene
CID 58626566
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane?
The IUPAC name of 3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane (CID 143339611) is 3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane.
What is the SMILES notation for 3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane?
The canonical SMILES for 3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane is CC.CC.CCCCc1ccccc1-c1ccc(CC(C=O)NC)cc1.
What is the InChIKey of 3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane?
The InChIKey is XMYQKOCSLZRFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.2C2H6/c1-3-4-7-17-8-5-6-9-20(17)18-12-10-16(11-13-18)14-19(15-22)21-2;2*1-2/h5-6,8-13,15,19,21H,3-4,7,14H2,1-2H3;2*1-2H3.
What are the key properties of 3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane?
3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane has a molecular weight of 355.57 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-butylphenyl)phenyl]-2-(methylamino)propanal;ethane is sourced from PubChem (CID 143339611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).