2-(4-butylphenoxy)-N-methyl-1-phenylethanamine

C19H25NO — CID 115492447

IUPAC2-(4-butylphenoxy)-N-methyl-1-phenylethanamine
SMILESCCCCc1ccc(OCC(NC)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-4-8-16-11-13-18(14-12-16)21-15-19(20-2)17-9-6-5-7-10-17/h5-7,9-14,19-20H,3-4,8,15H2,1-2H3
InChIKeyQIXVJNYETJUOAY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.37
Rot. Bonds8

About 2-(4-butylphenoxy)-N-methyl-1-phenylethanamine

2-(4-butylphenoxy)-N-methyl-1-phenylethanamine (PubChem CID 115492447) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-butylphenoxy)-N-methyl-1-phenylethanamine
PubChem CID115492447
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(4-butylphenoxy)-N-methyl-1-phenylethanamine
SMILESCCCCc1ccc(OCC(NC)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-4-8-16-11-13-18(14-12-16)21-15-19(20-2)17-9-6-5-7-10-17/h5-7,9-14,19-20H,3-4,8,15H2,1-2H3
InChIKeyQIXVJNYETJUOAY-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
3-(4-butylphenoxy)-2-methylpropan-1-amine
CID 115492916
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
N-methyl-1-phenoxynonan-2-amine
CID 63416660
1-(4-butylphenoxy)-3-methylpentan-2-amine
CID 115492419
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43484353
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 63473422

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(4-butylphenoxy)-N-methyl-1-phenylethanamine (CID 115492447) is 2-(4-butylphenoxy)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(4-butylphenoxy)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(4-butylphenoxy)-N-methyl-1-phenylethanamine is CCCCc1ccc(OCC(NC)c2ccccc2)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-N-methyl-1-phenylethanamine?
The InChIKey is QIXVJNYETJUOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-8-16-11-13-18(14-12-16)21-15-19(20-2)17-9-6-5-7-10-17/h5-7,9-14,19-20H,3-4,8,15H2,1-2H3.
What are the key properties of 2-(4-butylphenoxy)-N-methyl-1-phenylethanamine?
2-(4-butylphenoxy)-N-methyl-1-phenylethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 115492447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).