(1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine

C18H24N2O — CID 103937752

IUPAC(1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Oc2cc(C)ccc2C(C)C)cn1
InChIInChI=1S/C18H24N2O/c1-5-16(19)17-9-7-14(11-20-17)21-18-10-13(4)6-8-15(18)12(2)3/h6-12,16H,5,19H2,1-4H3/t16-/m0/s1
InChIKeyYRAMJZSINFIVCV-INIZCTEOSA-N
MW284.40 g/mol
LogP4.72
Rot. Bonds5

About (1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine

(1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine (PubChem CID 103937752) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
PubChem CID103937752
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Oc2cc(C)ccc2C(C)C)cn1
InChIInChI=1S/C18H24N2O/c1-5-16(19)17-9-7-14(11-20-17)21-18-10-13(4)6-8-15(18)12(2)3/h6-12,16H,5,19H2,1-4H3/t16-/m0/s1
InChIKeyYRAMJZSINFIVCV-INIZCTEOSA-N
XLogP4.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937751
1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 115939981
(1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937754
(1R)-1-[5-(2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937883
(1S)-1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937870
(1S)-1-[5-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 103938021
1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 104707911
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127673
(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937813
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
(1S)-1-[5-(4-iodophenoxy)-2-pyridinyl]propan-1-amine
CID 103937836
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine (CID 103937752) is (1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(Oc2cc(C)ccc2C(C)C)cn1.
What is the InChIKey of (1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is YRAMJZSINFIVCV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-16(19)17-9-7-14(11-20-17)21-18-10-13(4)6-8-15(18)12(2)3/h6-12,16H,5,19H2,1-4H3/t16-/m0/s1.
What are the key properties of (1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
(1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103937752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).