(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine

C17H21NO — CID 29276487

IUPAC(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1cccc(Oc2ccc([C@@H](C)N)cc2)c1
InChIInChI=1S/C17H21NO/c1-12(2)15-5-4-6-17(11-15)19-16-9-7-14(8-10-16)13(3)18/h4-13H,18H2,1-3H3/t13-/m1/s1
InChIKeyALFAMEKWAXBOCB-CYBMUJFWSA-N
MW255.36 g/mol
LogP4.62
Rot. Bonds4

About (1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine

(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 29276487) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID29276487
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1cccc(Oc2ccc([C@@H](C)N)cc2)c1
InChIInChI=1S/C17H21NO/c1-12(2)15-5-4-6-17(11-15)19-16-9-7-14(8-10-16)13(3)18/h4-13H,18H2,1-3H3/t13-/m1/s1
InChIKeyALFAMEKWAXBOCB-CYBMUJFWSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
CID 91869714
CID 91869714
(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127124
N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
1-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807091
N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 43111282
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine (CID 29276487) is (1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine is CC(C)c1cccc(Oc2ccc([C@@H](C)N)cc2)c1.
What is the InChIKey of (1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is ALFAMEKWAXBOCB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO/c1-12(2)15-5-4-6-17(11-15)19-16-9-7-14(8-10-16)13(3)18/h4-13H,18H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine?
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 29276487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).