acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine

C17H31NO — CID 143606802

IUPACacetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCC.CC=O.Cc1ccc(C(C)CNC(C)C)cc1
InChIInChI=1S/C13H21N.C2H4O.C2H6/c1-10(2)14-9-12(4)13-7-5-11(3)6-8-13;1-2-3;1-2/h5-8,10,12,14H,9H2,1-4H3;2H,1H3;1-2H3
InChIKeyNZMGFCWBRDGJFW-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.33
Rot. Bonds4

About acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine

acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 143606802) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Nameacetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID143606802
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Nameacetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCC.CC=O.Cc1ccc(C(C)CNC(C)C)cc1
InChIInChI=1S/C13H21N.C2H4O.C2H6/c1-10(2)14-9-12(4)13-7-5-11(3)6-8-13;1-2-3;1-2/h5-8,10,12,14H,9H2,1-4H3;2H,1H3;1-2H3
InChIKeyNZMGFCWBRDGJFW-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.33
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

2-(4-methylphenyl)-3-(propan-2-ylamino)propanal
CID 91120668
N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 43097751
2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 105349131
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-(4-methylphenyl)propyl formate
CID 54000579
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
CID 105349506
5-methoxy-2-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 79436710
2-(4-methylphenyl)-1-N-propan-2-ylbut-3-ene-1,3-diamine
CID 89000384
2-(4-methylphenyl)propanedial
CID 2736930
1-(4-bromopentan-2-yl)-4-methylbenzene
CID 64718589
ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene
CID 143709608

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine (CID 143606802) is acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine is CC.CC=O.Cc1ccc(C(C)CNC(C)C)cc1.
What is the InChIKey of acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is NZMGFCWBRDGJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.C2H4O.C2H6/c1-10(2)14-9-12(4)13-7-5-11(3)6-8-13;1-2-3;1-2/h5-8,10,12,14H,9H2,1-4H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 143606802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).