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

C19H25NO — CID 82137983

IUPAC2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine
SMILESCC(C)c1ccccc1OCCC(CN)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(2)18-10-6-7-11-19(18)21-13-12-17(14-20)16-8-4-3-5-9-16/h3-11,15,17H,12-14,20H2,1-2H3
InChIKeyTXCFWGZWHQZAJN-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.32
Rot. Bonds7

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

2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine (PubChem CID 82137983) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine
PubChem CID82137983
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine
SMILESCC(C)c1ccccc1OCCC(CN)c1ccccc1
InChIInChI=1S/C19H25NO/c1-15(2)18-10-6-7-11-19(18)21-13-12-17(14-20)16-8-4-3-5-9-16/h3-11,15,17H,12-14,20H2,1-2H3
InChIKeyTXCFWGZWHQZAJN-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(2-propan-2-ylphenoxy)butanoic acid
CID 63039168
2-phenyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 55017685
2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 79429853
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535
4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
4-(2-methoxyphenoxy)-2-(3-methylphenyl)butan-1-amine
CID 79422486
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 20989440
1-octoxy-2-propan-2-ylbenzene
CID 64765685
2-phenylpentan-1-amine
CID 14321247

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine?
The IUPAC name of 2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine (CID 82137983) is 2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine.
What is the SMILES notation for 2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine?
The canonical SMILES for 2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine is CC(C)c1ccccc1OCCC(CN)c1ccccc1.
What is the InChIKey of 2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine?
The InChIKey is TXCFWGZWHQZAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)18-10-6-7-11-19(18)21-13-12-17(14-20)16-8-4-3-5-9-16/h3-11,15,17H,12-14,20H2,1-2H3.
What are the key properties of 2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine?
2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine is sourced from PubChem (CID 82137983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).