1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine

C19H25NO — CID 43108212

IUPAC1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine
SMILESCCC(Oc1cccc(C(C)C)c1)C(N)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-18(19(20)15-9-6-5-7-10-15)21-17-12-8-11-16(13-17)14(2)3/h5-14,18-19H,4,20H2,1-3H3
InChIKeyPRASSSQWKAKBAG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.67
Rot. Bonds6

About 1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine

1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine (PubChem CID 43108212) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine.

Molecular Properties

Compound Name1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine
PubChem CID43108212
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine
SMILESCCC(Oc1cccc(C(C)C)c1)C(N)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-18(19(20)15-9-6-5-7-10-15)21-17-12-8-11-16(13-17)14(2)3/h5-14,18-19H,4,20H2,1-3H3
InChIKeyPRASSSQWKAKBAG-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenoxy-1-phenylbutan-1-amine
CID 43211594
2-ethoxy-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116716401
2-methoxy-1-phenylbutan-1-amine
CID 43211581
1-(3-propan-2-ylphenoxy)butan-2-amine
CID 62039542
1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
CID 43211618
(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
2-(3-propan-2-ylphenoxy)butanehydrazide
CID 55213791
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
CID 62454693
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine?
The IUPAC name of 1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine (CID 43108212) is 1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine.
What is the SMILES notation for 1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine?
The canonical SMILES for 1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine is CCC(Oc1cccc(C(C)C)c1)C(N)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine?
The InChIKey is PRASSSQWKAKBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-18(19(20)15-9-6-5-7-10-15)21-17-12-8-11-16(13-17)14(2)3/h5-14,18-19H,4,20H2,1-3H3.
What are the key properties of 1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine?
1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-propan-2-ylphenoxy)butan-1-amine is sourced from PubChem (CID 43108212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).