(1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine

C18H24N2O — CID 103937754

IUPAC(1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Oc2ccc(C(C)C)c(C)c2)cn1
InChIInChI=1S/C18H24N2O/c1-5-17(19)18-9-7-15(11-20-18)21-14-6-8-16(12(2)3)13(4)10-14/h6-12,17H,5,19H2,1-4H3/t17-/m0/s1
InChIKeyHYNQDVAIOFTEFQ-KRWDZBQOSA-N
MW284.40 g/mol
LogP4.72
Rot. Bonds5

About (1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine

(1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine (PubChem CID 103937754) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
PubChem CID103937754
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Oc2ccc(C(C)C)c(C)c2)cn1
InChIInChI=1S/C18H24N2O/c1-5-17(19)18-9-7-15(11-20-18)21-14-6-8-16(12(2)3)13(4)10-14/h6-12,17H,5,19H2,1-4H3/t17-/m0/s1
InChIKeyHYNQDVAIOFTEFQ-KRWDZBQOSA-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

Analyze (1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937752
(1R)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937751
1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 112584748
(1S)-1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937870
(1R)-1-[5-(2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937883
1-[5-(2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 115939981
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
(1S)-1-[5-(4-iodophenoxy)-2-pyridinyl]propan-1-amine
CID 103937836
4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 115940162
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
(1S)-1-[5-(4-chloro-3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938051
1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]propan-1-amine
CID 112584730

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine (CID 103937754) is (1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(Oc2ccc(C(C)C)c(C)c2)cn1.
What is the InChIKey of (1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is HYNQDVAIOFTEFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-17(19)18-9-7-15(11-20-18)21-14-6-8-16(12(2)3)13(4)10-14/h6-12,17H,5,19H2,1-4H3/t17-/m0/s1.
What are the key properties of (1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine?
(1S)-1-[5-(3-methyl-4-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-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103937754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).