N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine

C19H25NO — CID 54804849

IUPACN-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine
SMILESCCC(C)Oc1cccc(CNCCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-3-16(2)21-19-11-7-10-18(14-19)15-20-13-12-17-8-5-4-6-9-17/h4-11,14,16,20H,3,12-13,15H2,1-2H3
InChIKeyWJSYTOSGQIOLHC-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.20
Rot. Bonds8

About N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine

N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine (PubChem CID 54804849) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine
PubChem CID54804849
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine
SMILESCCC(C)Oc1cccc(CNCCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-3-16(2)21-19-11-7-10-18(14-19)15-20-13-12-17-8-5-4-6-9-17/h4-11,14,16,20H,3,12-13,15H2,1-2H3
InChIKeyWJSYTOSGQIOLHC-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.20
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

N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
N-[(3-butan-2-yloxyphenyl)methyl]hexadecan-1-amine
CID 54847916
N-[(3-butan-2-yloxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849186
1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
CID 54849301
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
3-butan-2-yloxy-N-(3-phenylpropyl)aniline
CID 54802732
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
3-butan-2-yloxy-N-(2-phenylethylcarbamothioyl)benzamide
CID 17149973
N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54814878
2-[3-(ethylaminomethyl)phenoxy]butanoic acid
CID 64668910
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858

Frequently Asked Questions

What is the IUPAC name of N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine (CID 54804849) is N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine is CCC(C)Oc1cccc(CNCCc2ccccc2)c1.
What is the InChIKey of N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine?
The InChIKey is WJSYTOSGQIOLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-16(2)21-19-11-7-10-18(14-19)15-20-13-12-17-8-5-4-6-9-17/h4-11,14,16,20H,3,12-13,15H2,1-2H3.
What are the key properties of N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine?
N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 54804849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).