(2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine

C20H28N2O — CID 118429948

IUPAC(2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C)c2)ccn1
InChIInChI=1S/C20H28N2O/c1-14(2)12-20(5,21)13-23-19-7-6-17(10-15(19)3)18-8-9-22-16(4)11-18/h6-11,14H,12-13,21H2,1-5H3/t20-/m0/s1
InChIKeySTCRBGFALPZXKB-FQEVSTJZSA-N
MW312.46 g/mol
LogP4.51
Rot. Bonds6

About (2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine

(2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine (PubChem CID 118429948) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine
PubChem CID118429948
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name(2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C)c2)ccn1
InChIInChI=1S/C20H28N2O/c1-14(2)12-20(5,21)13-23-19-7-6-17(10-15(19)3)18-8-9-22-16(4)11-18/h6-11,14H,12-13,21H2,1-5H3/t20-/m0/s1
InChIKeySTCRBGFALPZXKB-FQEVSTJZSA-N
XLogP4.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine?
The IUPAC name of (2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine (CID 118429948) is (2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine.
What is the SMILES notation for (2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine?
The canonical SMILES for (2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine is Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C)c2)ccn1.
What is the InChIKey of (2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine?
The InChIKey is STCRBGFALPZXKB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28N2O/c1-14(2)12-20(5,21)13-23-19-7-6-17(10-15(19)3)18-8-9-22-16(4)11-18/h6-11,14H,12-13,21H2,1-5H3/t20-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine?
(2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine has a molecular weight of 312.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-1-[2-methyl-4-(2-methyl-4-pyridinyl)phenoxy]pentan-2-amine is sourced from PubChem (CID 118429948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).