2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine

C16H25NO — CID 79978936

IUPAC2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
SMILESCCCCOCCNCc1cccc(C2CC2)c1
InChIInChI=1S/C16H25NO/c1-2-3-10-18-11-9-17-13-14-5-4-6-16(12-14)15-7-8-15/h4-6,12,15,17H,2-3,7-11,13H2,1H3
InChIKeyWEFNIJDQOLOEDI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.47
Rot. Bonds9

About 2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine

2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine (PubChem CID 79978936) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
PubChem CID79978936
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
SMILESCCCCOCCNCc1cccc(C2CC2)c1
InChIInChI=1S/C16H25NO/c1-2-3-10-18-11-9-17-13-14-5-4-6-16(12-14)15-7-8-15/h4-6,12,15,17H,2-3,7-11,13H2,1H3
InChIKeyWEFNIJDQOLOEDI-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide
CID 106234983
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine
CID 22091512
N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79983696
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
3-[(3-butoxypropylamino)methyl]benzonitrile
CID 83303573
4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 79977194
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The IUPAC name of 2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine (CID 79978936) is 2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine is CCCCOCCNCc1cccc(C2CC2)c1.
What is the InChIKey of 2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The InChIKey is WEFNIJDQOLOEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-10-18-11-9-17-13-14-5-4-6-16(12-14)15-7-8-15/h4-6,12,15,17H,2-3,7-11,13H2,1H3.
What are the key properties of 2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine?
2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine is sourced from PubChem (CID 79978936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).