1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine

C19H25NO — CID 107668862

IUPAC1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
SMILESCCC(C)c1ccc(Oc2ccc(CC(C)N)cc2)cc1
InChIInChI=1S/C19H25NO/c1-4-14(2)17-7-11-19(12-8-17)21-18-9-5-16(6-10-18)13-15(3)20/h5-12,14-15H,4,13,20H2,1-3H3
InChIKeySWEAZAAXDFYGPK-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.88
Rot. Bonds6

About 1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine

1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine (PubChem CID 107668862) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
PubChem CID107668862
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
SMILESCCC(C)c1ccc(Oc2ccc(CC(C)N)cc2)cc1
InChIInChI=1S/C19H25NO/c1-4-14(2)17-7-11-19(12-8-17)21-18-9-5-16(6-10-18)13-15(3)20/h5-12,14-15H,4,13,20H2,1-3H3
InChIKeySWEAZAAXDFYGPK-UHFFFAOYSA-N
XLogP4.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
1-[4-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63802154
3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
CID 18363747
4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
CID 131968930
1-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 107726916
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
2-amino-3-(4-butan-2-ylphenyl)propanamide
CID 116850831
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine (CID 107668862) is 1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine is CCC(C)c1ccc(Oc2ccc(CC(C)N)cc2)cc1.
What is the InChIKey of 1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine?
The InChIKey is SWEAZAAXDFYGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-14(2)17-7-11-19(12-8-17)21-18-9-5-16(6-10-18)13-15(3)20/h5-12,14-15H,4,13,20H2,1-3H3.
What are the key properties of 1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine?
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 107668862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).