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

C18H23NO — CID 103959232

IUPAC(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23NO/c1-4-17(19)16-7-5-6-8-18(16)20-15-11-9-14(10-12-15)13(2)3/h5-13,17H,4,19H2,1-3H3/t17-/m0/s1
InChIKeyZFIPHYWCKWRGKQ-KRWDZBQOSA-N
MW269.39 g/mol
LogP5.01
Rot. Bonds5

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

(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine (PubChem CID 103959232) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
PubChem CID103959232
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1Oc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23NO/c1-4-17(19)16-7-5-6-8-18(16)20-15-11-9-14(10-12-15)13(2)3/h5-13,17H,4,19H2,1-3H3/t17-/m0/s1
InChIKeyZFIPHYWCKWRGKQ-KRWDZBQOSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
CID 103959322
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
1-[2-(4-nitrophenoxy)phenyl]propan-1-amine
CID 115995641
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
CID 112678483
1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 63817173
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine (CID 103959232) is (1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1Oc1ccc(C(C)C)cc1.
What is the InChIKey of (1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine?
The InChIKey is ZFIPHYWCKWRGKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-17(19)16-7-5-6-8-18(16)20-15-11-9-14(10-12-15)13(2)3/h5-13,17H,4,19H2,1-3H3/t17-/m0/s1.
What are the key properties of (1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine?
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 103959232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).